(1S)-1-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine

C16H18ClN — CID 29276650

IUPAC(1S)-1-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
SMILESCc1ccccc1CN[C@@H](C)c1cccc(Cl)c1
InChIInChI=1S/C16H18ClN/c1-12-6-3-4-7-15(12)11-18-13(2)14-8-5-9-16(17)10-14/h3-10,13,18H,11H2,1-2H3/t13-/m0/s1
InChIKeyMXODTPLGRQRQQE-ZDUSSCGKSA-N
MW259.78 g/mol
LogP4.50
Rot. Bonds4

About (1S)-1-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine

(1S)-1-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine (PubChem CID 29276650) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is (1S)-1-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
PubChem CID29276650
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name(1S)-1-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
SMILESCc1ccccc1CN[C@@H](C)c1cccc(Cl)c1
InChIInChI=1S/C16H18ClN/c1-12-6-3-4-7-15(12)11-18-13(2)14-8-5-9-16(17)10-14/h3-10,13,18H,11H2,1-2H3/t13-/m0/s1
InChIKeyMXODTPLGRQRQQE-ZDUSSCGKSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine
CID 43178091
(1R)-1-(3-bromophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 81371674
(1S)-1-(3-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 81362672
N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 114841425
(1S)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 104979988
N-methyl-3-[(1R)-1-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide
CID 95178243
(1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
CID 30052784
2-bromo-6-[[1-(3-chlorophenyl)ethylamino]methyl]phenol
CID 61390650
1-(3-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 54940014
(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 106816979
1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 43080024
(1S)-1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 28649455

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine (CID 29276650) is (1S)-1-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine is Cc1ccccc1CN[C@@H](C)c1cccc(Cl)c1.
What is the InChIKey of (1S)-1-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine?
The InChIKey is MXODTPLGRQRQQE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18ClN/c1-12-6-3-4-7-15(12)11-18-13(2)14-8-5-9-16(17)10-14/h3-10,13,18H,11H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-1-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine?
(1S)-1-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine has a molecular weight of 259.78 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 29276650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).