1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-chloro-N-methyl-1-phenylpropan-2-amine

2.1.2 InChI

InChI=1S/C10H14ClN/c1-8(12-2)10(11)9-6-4-3-5-7-9/h3-8,10,12H,1-2H3

2.1.3 InChI Key

HZCQDJZPLJOGQS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C(C1=CC=CC=C1)Cl)NC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 25394-33-6

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₄ClN
Molecular Weight	183.68 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	183.0814771 g/mol
Monoisotopic Mass	183.0814771 g/mol
Topological Polar Surface Area	12 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	121
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 25394-33-6