(1S)-1-(3-chloro-2-methylphenyl)-N-methylethanamine

C10H14ClN — CID 96656380

IUPAC(1S)-1-(3-chloro-2-methylphenyl)-N-methylethanamine
SMILESCN[C@@H](C)c1cccc(Cl)c1C
InChIInChI=1S/C10H14ClN/c1-7-9(8(2)12-3)5-4-6-10(7)11/h4-6,8,12H,1-3H3/t8-/m0/s1
InChIKeyRZYVIQQZHYDTGF-QMMMGPOBSA-N
MW183.68 g/mol
LogP2.93
Rot. Bonds2

About (1S)-1-(3-chloro-2-methylphenyl)-N-methylethanamine

(1S)-1-(3-chloro-2-methylphenyl)-N-methylethanamine (PubChem CID 96656380) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is (1S)-1-(3-chloro-2-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name(1S)-1-(3-chloro-2-methylphenyl)-N-methylethanamine
PubChem CID96656380
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name(1S)-1-(3-chloro-2-methylphenyl)-N-methylethanamine
SMILESCN[C@@H](C)c1cccc(Cl)c1C
InChIInChI=1S/C10H14ClN/c1-7-9(8(2)12-3)5-4-6-10(7)11/h4-6,8,12H,1-3H3/t8-/m0/s1
InChIKeyRZYVIQQZHYDTGF-QMMMGPOBSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2-chlorophenyl)-N-methylethanamine
CID 30073865
1-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 64714352
1-(3-chloro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 107096375
1-(3-chloro-2-methylphenyl)ethanamine;hydrochloride
CID 154878722
(R)-N-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 162452443
N-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 167264738
1-(3-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-methylethanamine
CID 107102959
1-(3-chloro-2-methylphenyl)-1-cycloheptyl-N-methylmethanamine
CID 107103005
1-(3-chloro-2-methylphenyl)-N-methylheptan-1-amine
CID 107102165
1-(5-bromofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine
CID 107096586
1-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenyl)-N-methylethanamine
CID 107102055
3-chloro-2-methyl-N-[1-(2-methylphenyl)ethyl]aniline
CID 43096271

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-chloro-2-methylphenyl)-N-methylethanamine?
The IUPAC name of (1S)-1-(3-chloro-2-methylphenyl)-N-methylethanamine (CID 96656380) is (1S)-1-(3-chloro-2-methylphenyl)-N-methylethanamine.
What is the SMILES notation for (1S)-1-(3-chloro-2-methylphenyl)-N-methylethanamine?
The canonical SMILES for (1S)-1-(3-chloro-2-methylphenyl)-N-methylethanamine is CN[C@@H](C)c1cccc(Cl)c1C.
What is the InChIKey of (1S)-1-(3-chloro-2-methylphenyl)-N-methylethanamine?
The InChIKey is RZYVIQQZHYDTGF-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14ClN/c1-7-9(8(2)12-3)5-4-6-10(7)11/h4-6,8,12H,1-3H3/t8-/m0/s1.
What are the key properties of (1S)-1-(3-chloro-2-methylphenyl)-N-methylethanamine?
(1S)-1-(3-chloro-2-methylphenyl)-N-methylethanamine has a molecular weight of 183.68 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-chloro-2-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 96656380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).