(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-amine;hydrochloride

C16H19Cl2N — CID 23404723

IUPAC(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-amine;hydrochloride
SMILESC[C@H](N)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1.Cl
InChIInChI=1S/C16H18ClN.ClH/c1-12(18)16(14-5-3-2-4-6-14)11-13-7-9-15(17)10-8-13;/h2-10,12,16H,11,18H2,1H3;1H/t12-,16+;/m0./s1
InChIKeyFRMQIGNMWCKPMD-CVHDTDHSSA-N
MW296.24 g/mol
LogP4.44
Rot. Bonds4

About (2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-amine;hydrochloride

(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-amine;hydrochloride (PubChem CID 23404723) has the molecular formula C16H19Cl2N and a molecular weight of 296.24 g/mol. Its IUPAC name is (2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-amine;hydrochloride
PubChem CID23404723
Molecular FormulaC16H19Cl2N
Molecular Weight296.24 g/mol
Exact Mass295.09
IUPAC Name(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-amine;hydrochloride
SMILESC[C@H](N)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1.Cl
InChIInChI=1S/C16H18ClN.ClH/c1-12(18)16(14-5-3-2-4-6-14)11-13-7-9-15(17)10-8-13;/h2-10,12,16H,11,18H2,1H3;1H/t12-,16+;/m0./s1
InChIKeyFRMQIGNMWCKPMD-CVHDTDHSSA-N
XLogP4.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-amine
CID 19073696
3-(4-bromophenyl)-4-(4-chlorophenyl)butan-2-amine
CID 19073662
4-(4-chlorophenyl)-3-(4-naphthalen-2-ylphenyl)butan-2-amine
CID 19073683
2-(4-chlorophenyl)-1-phenylethanamine;hydrochloride
CID 3052629
3-(4-chlorophenyl)-4-(3-fluoro-4-phenylphenyl)butan-2-amine
CID 19073588
4-(3-amino-2-phenylbutyl)benzonitrile
CID 22270471
4-(2-chlorophenyl)-3-(4-chlorophenyl)butan-2-amine
CID 19073641
azane;1-chloro-4-(2-phenylpropyl)benzene
CID 67712446
1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]benzene
CID 58699453
1-(4-chlorophenyl)propan-2-amine
CID 3127
4-(4-methylphenyl)-3-phenylbutan-2-amine;4-(4-methylphenyl)-3-phenylbutan-2-one
CID 162155664
(2S,3R)-3-(1,2-benzoxazol-3-yl)-4-(4-chlorophenyl)butan-2-amine
CID 129383877

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-amine;hydrochloride?
The IUPAC name of (2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-amine;hydrochloride (CID 23404723) is (2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-amine;hydrochloride.
What is the SMILES notation for (2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-amine;hydrochloride?
The canonical SMILES for (2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-amine;hydrochloride is C[C@H](N)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1.Cl.
What is the InChIKey of (2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-amine;hydrochloride?
The InChIKey is FRMQIGNMWCKPMD-CVHDTDHSSA-N. The full InChI is InChI=1S/C16H18ClN.ClH/c1-12(18)16(14-5-3-2-4-6-14)11-13-7-9-15(17)10-8-13;/h2-10,12,16H,11,18H2,1H3;1H/t12-,16+;/m0./s1.
What are the key properties of (2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-amine;hydrochloride?
(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-amine;hydrochloride has a molecular weight of 296.24 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-amine;hydrochloride is sourced from PubChem (CID 23404723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).