(2S)-N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine

C16H18ClN — CID 735998

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IUPAC(2S)-N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine
SMILESC[C@@H](Cc1ccccc1)NCc1ccccc1Cl
InChIInChI=1S/C16H18ClN/c1-13(11-14-7-3-2-4-8-14)18-12-15-9-5-6-10-16(15)17/h2-10,13,18H,11-12H2,1H3/t13-/m0/s1
InChIKeyLRXXRIXDSAEIOR-ZDUSSCGKSA-N
MW259.78 g/mol
LogP4.06
Rot. Bonds5

About (2S)-N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine

(2S)-N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine (PubChem CID 735998) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is (2S)-N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine
PubChem CID735998
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name(2S)-N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine
SMILESC[C@@H](Cc1ccccc1)NCc1ccccc1Cl
InChIInChI=1S/C16H18ClN/c1-13(11-14-7-3-2-4-8-14)18-12-15-9-5-6-10-16(15)17/h2-10,13,18H,11-12H2,1H3/t13-/m0/s1
InChIKeyLRXXRIXDSAEIOR-ZDUSSCGKSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Norchlorcyclizine
CID 9340
N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine
CID 71675
Norbenzphetamine
CID 102554
4-chloro-N-cyclopentylbenzylamine
CID 834083
Benzenemethanamine, 4-chloro-N-methyl-
CID 66905
Benzenemethanamine, 3-chloro-N-methyl-
CID 122721
N-Benzylamphetamine
CID 10149140
Bis(alpha-methylbenzyl)amine
CID 24804
Benzenemethanamine, 2-chloro-N-methyl-
CID 66754
N,N'-(Cyclohexane-1,4-diylbis(methylene))bis(1-(2-chlorophenyl)methanamine)
CID 9705
N,N'-Bis(1-phenylethyl)diaminoethane
CID 22679
Cumyluron
CID 11709249

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine?
The IUPAC name of (2S)-N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine (CID 735998) is (2S)-N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine.
What is the SMILES notation for (2S)-N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine?
The canonical SMILES for (2S)-N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine is C[C@@H](Cc1ccccc1)NCc1ccccc1Cl.
What is the InChIKey of (2S)-N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine?
The InChIKey is LRXXRIXDSAEIOR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18ClN/c1-13(11-14-7-3-2-4-8-14)18-12-15-9-5-6-10-16(15)17/h2-10,13,18H,11-12H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine?
(2S)-N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine has a molecular weight of 259.78 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine is sourced from PubChem (CID 735998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).