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2D Structure
Also known as: 1-phenoxypropan-2-amine, 35205-54-0, 1-phenoxy-2-propanamine, 1-methyl-2-phenoxy-ethylamine, 2-phenoxyisopropylamine, 2-propanamine, 1-phenoxy-
Molecular Formula
C9H13NO
Molecular Weight
151.21  g/mol
InChI Key
IKYFHRVPKIFGMH-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-phenoxypropan-2-amine
2.1.2 InChI
InChI=1S/C9H13NO/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
2.1.3 InChI Key
IKYFHRVPKIFGMH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(COC1=CC=CC=C1)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1-phenoxypropan-2-amine

2. 35205-54-0

3. 1-phenoxy-2-propanamine

4. 1-methyl-2-phenoxy-ethylamine

5. 2-phenoxyisopropylamine

6. 2-propanamine, 1-phenoxy-

7. 1-phenoxy-2-propylamine

8. Ethylamine, 1-methyl-2-phenoxy-

9. C 1926

10. Nsc 137777

11. Einecs 252-434-7

12. Brn 2045304

13. (1-methyl-2-phenoxyethyl)amine

14. Phenoxyisopropylamine

15. 1-phenoxypropane-2-amine

16. 2-amino-1-phenoxypropane

17. 2-phenoxy-1-methylethylamine

18. 4-06-00-00669 (beilstein Handbook Reference)

19. Schembl366154

20. 1-methyl-2-phenoxyethyl Amine

21. Ethylamine, Methyl-2-phenoxy-

22. Chembl162135

23. Dtxsid301313534

24. .alpha.-methyl-2-phenoxyethanamine

25. Albb-027081

26. Mfcd00008083

27. Nsc137777

28. Akos000302300

29. Akos016042140

30. Nsc-137777

31. Sb76412

32. Ls-09259

33. Bb 0255191

34. Cs-0433311

35. Ft-0678798

36. N12753

37. Ab01007136-01

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 151.21 g/mol
Molecular Formula C9H13NO
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area35.2
Heavy Atom Count11
Formal Charge0
Complexity99.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1