1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[2-(2-methyl-3-nitrophenyl)ethyl]-N-propylpropan-1-amine

2.1.2 InChI

InChI=1S/C15H24N2O2/c1-4-10-16(11-5-2)12-9-14-7-6-8-15(13(14)3)17(18)19/h6-8H,4-5,9-12H2,1-3H3

2.1.3 InChI Key

YTNVHUSMDIAWLT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCN(CCC)CCC1=C(C(=CC=C1)[N+](=O)[O-])C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 91374-23-1

2. N-(2-methyl-3-nitrophenethyl)-n-propylpropan-1-amine

3. N-[2-(2-methyl-3-nitrophenyl)ethyl]-n-propylpropan-1-amine

4. [2-(2-methyl-3-nitro-phenyl)-ethyl]-dipropyl-amine

5. N,n-dipropyl-2-(2-methyl-3-nitrophenyl)ethylamine

6. D(+)-cellobioseoctaacetate

7. Schembl3841214

8. Dtxsid30536201

9. Act05040

10. Bcp22606

11. Mfcd09751331

12. Zinc16697773

13. Akos015890002

14. Ac-8257

15. Db-012571

16. Am20041397

17. Ft-0654786

18. [2-(2-methyl-3-nitrophenyl)ethyl]dipropylamine

19. 2-(2-methyl-3-nitro-phenyl)ethyl-dipropyl-amine

20. 374d231

21. Q-102411

22. 2-methyl-3-nitro-n,n-di-n-propyl Phenyl Ethyl Amine

23. 6-[2-(dipropylamino)ethyl]-2-nitro-1-methylbenzene

24. 2-methyl-3-nitro-n, N-di-n-propyl Phenyl Ethyl Amine

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₂₄N₂O₂
Molecular Weight	264.36 g/mol
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	264.183778013 g/mol
Monoisotopic Mass	264.183778013 g/mol
Topological Polar Surface Area	49.1 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	259
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 91374-23-1

CAS 91374-23-1

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