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

C16H19Cl2N — CID 71314913

IUPAC(2S)-N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine;hydrochloride
SMILESC[C@@H](Cc1ccccc1)NCc1ccccc1Cl.Cl
InChIInChI=1S/C16H18ClN.ClH/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;1H/t13-;/m0./s1
InChIKeyASTCUURTJCZRSC-ZOWNYOTGSA-N
MW296.24 g/mol
LogP4.48
Rot. Bonds5

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

(2S)-N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine;hydrochloride (PubChem CID 71314913) has the molecular formula C16H19Cl2N and a molecular weight of 296.24 g/mol. Its IUPAC name is (2S)-N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine;hydrochloride
PubChem CID71314913
Molecular FormulaC16H19Cl2N
Molecular Weight296.24 g/mol
Exact Mass295.09
IUPAC Name(2S)-N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine;hydrochloride
SMILESC[C@@H](Cc1ccccc1)NCc1ccccc1Cl.Cl
InChIInChI=1S/C16H18ClN.ClH/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;1H/t13-;/m0./s1
InChIKeyASTCUURTJCZRSC-ZOWNYOTGSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine;hydrochloride?
The IUPAC name of (2S)-N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine;hydrochloride (CID 71314913) is (2S)-N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine;hydrochloride.
What is the SMILES notation for (2S)-N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine;hydrochloride?
The canonical SMILES for (2S)-N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine;hydrochloride is C[C@@H](Cc1ccccc1)NCc1ccccc1Cl.Cl.
What is the InChIKey of (2S)-N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine;hydrochloride?
The InChIKey is ASTCUURTJCZRSC-ZOWNYOTGSA-N. The full InChI is InChI=1S/C16H18ClN.ClH/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;1H/t13-;/m0./s1.
What are the key properties of (2S)-N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine;hydrochloride?
(2S)-N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine;hydrochloride has a molecular weight of 296.24 g/mol, XLogP of 4.48, 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;hydrochloride is sourced from PubChem (CID 71314913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).