(1R,2R,3S)-3-[(4-chlorophenyl)methylamino]-2-methyl-1,3-diphenylpropan-1-ol

C23H24ClNO — CID 13496223

IUPAC(1R,2R,3S)-3-[(4-chlorophenyl)methylamino]-2-methyl-1,3-diphenylpropan-1-ol
SMILESC[C@H]([C@H](NCc1ccc(Cl)cc1)c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C23H24ClNO/c1-17(23(26)20-10-6-3-7-11-20)22(19-8-4-2-5-9-19)25-16-18-12-14-21(24)15-13-18/h2-15,17,22-23,25-26H,16H2,1H3/t17-,22+,23-/m1/s1
InChIKeyVKTBGJRPBYKPSU-MQNAVGNWSA-N
MW365.90 g/mol
LogP5.54
Rot. Bonds7

About (1R,2R,3S)-3-[(4-chlorophenyl)methylamino]-2-methyl-1,3-diphenylpropan-1-ol

(1R,2R,3S)-3-[(4-chlorophenyl)methylamino]-2-methyl-1,3-diphenylpropan-1-ol (PubChem CID 13496223) has the molecular formula C23H24ClNO and a molecular weight of 365.90 g/mol. Its IUPAC name is (1R,2R,3S)-3-[(4-chlorophenyl)methylamino]-2-methyl-1,3-diphenylpropan-1-ol.

Molecular Properties

Compound Name(1R,2R,3S)-3-[(4-chlorophenyl)methylamino]-2-methyl-1,3-diphenylpropan-1-ol
PubChem CID13496223
Molecular FormulaC23H24ClNO
Molecular Weight365.90 g/mol
Exact Mass365.15
IUPAC Name(1R,2R,3S)-3-[(4-chlorophenyl)methylamino]-2-methyl-1,3-diphenylpropan-1-ol
SMILESC[C@H]([C@H](NCc1ccc(Cl)cc1)c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C23H24ClNO/c1-17(23(26)20-10-6-3-7-11-20)22(19-8-4-2-5-9-19)25-16-18-12-14-21(24)15-13-18/h2-15,17,22-23,25-26H,16H2,1H3/t17-,22+,23-/m1/s1
InChIKeyVKTBGJRPBYKPSU-MQNAVGNWSA-N
XLogP5.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.90
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(benzylamino)-1-phenylpropan-2-ol
CID 71723704
3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid
CID 21219515
(2R,3S)-3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid
CID 18655941
(2R,3S)-3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid;hydrate
CID 172680795
N-[(4-chlorophenyl)methyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131540
N,N'-bis[(4-ethylphenyl)methyl]-1,2-diphenylethane-1,2-diamine
CID 139633407
methyl 3-(benzylamino)-2-hydroxy-3-phenylpropanoate
CID 67427493
2-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol
CID 54856639
1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 43080024
1-(4-chlorophenyl)-N-[(4-phenylphenyl)methyl]propan-2-amine
CID 67641931
(1S,2S)-2-[(4-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
CID 10912623
4-[[(2-ethyl-1-phenylbutyl)amino]methyl]phenol
CID 43734643

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S)-3-[(4-chlorophenyl)methylamino]-2-methyl-1,3-diphenylpropan-1-ol?
The IUPAC name of (1R,2R,3S)-3-[(4-chlorophenyl)methylamino]-2-methyl-1,3-diphenylpropan-1-ol (CID 13496223) is (1R,2R,3S)-3-[(4-chlorophenyl)methylamino]-2-methyl-1,3-diphenylpropan-1-ol.
What is the SMILES notation for (1R,2R,3S)-3-[(4-chlorophenyl)methylamino]-2-methyl-1,3-diphenylpropan-1-ol?
The canonical SMILES for (1R,2R,3S)-3-[(4-chlorophenyl)methylamino]-2-methyl-1,3-diphenylpropan-1-ol is C[C@H]([C@H](NCc1ccc(Cl)cc1)c1ccccc1)[C@@H](O)c1ccccc1.
What is the InChIKey of (1R,2R,3S)-3-[(4-chlorophenyl)methylamino]-2-methyl-1,3-diphenylpropan-1-ol?
The InChIKey is VKTBGJRPBYKPSU-MQNAVGNWSA-N. The full InChI is InChI=1S/C23H24ClNO/c1-17(23(26)20-10-6-3-7-11-20)22(19-8-4-2-5-9-19)25-16-18-12-14-21(24)15-13-18/h2-15,17,22-23,25-26H,16H2,1H3/t17-,22+,23-/m1/s1.
What are the key properties of (1R,2R,3S)-3-[(4-chlorophenyl)methylamino]-2-methyl-1,3-diphenylpropan-1-ol?
(1R,2R,3S)-3-[(4-chlorophenyl)methylamino]-2-methyl-1,3-diphenylpropan-1-ol has a molecular weight of 365.90 g/mol, XLogP of 5.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S)-3-[(4-chlorophenyl)methylamino]-2-methyl-1,3-diphenylpropan-1-ol is sourced from PubChem (CID 13496223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).