2-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol

C17H20ClNO — CID 54856639

IUPAC2-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol
SMILESCC(C(O)c1ccccc1)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO/c1-13(17(20)15-6-4-3-5-7-15)19(2)12-14-8-10-16(18)11-9-14/h3-11,13,17,20H,12H2,1-2H3
InChIKeyZUJMLHJSXHDSRH-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.89
Rot. Bonds5

About 2-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol

2-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol (PubChem CID 54856639) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol
PubChem CID54856639
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name2-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol
SMILESCC(C(O)c1ccccc1)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO/c1-13(17(20)15-6-4-3-5-7-15)19(2)12-14-8-10-16(18)11-9-14/h3-11,13,17,20H,12H2,1-2H3
InChIKeyZUJMLHJSXHDSRH-UHFFFAOYSA-N
XLogP3.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-2-[[4-[dimethyl-[2-[tris[2-[[4-[[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]methyl]phenyl]-dimethylsilyl]ethyl]silyl]ethyl]silyl]phenyl]methyl-methylamino]-1-phenylpropan-1-ol
CID 101178266
(1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol
CID 102595877
2-[ethyl(methyl)amino]-1-phenylpropan-1-ol
CID 10734
(1R,2S)-2-[[4-[2-(3,5-dibromophenyl)ethynyl]phenyl]methyl-methylamino]-1-phenylpropan-1-ol
CID 101132622
(1S,2S)-2-(dibenzylamino)-1-phenylpropan-1-ol
CID 11484349
3-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol
CID 62611608
3-[(4-chlorophenyl)methyl-methylamino]-3-phenylpropanethioamide
CID 62779798
4-chloro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzenesulfonamide
CID 7062742
1-[(1-hydroxy-1-phenylpropan-2-yl)-methylamino]propan-2-one
CID 85280198
N-[(4-chlorophenyl)methyl]-N-methyl-3,3-diphenylpropanamide
CID 43909696
2-[methyl-[(2-propan-2-yloxyphenyl)methyl]amino]-1-phenylpropan-1-ol
CID 54856739
N-[(4-chlorophenyl)methyl]-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine
CID 62413056

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol?
The IUPAC name of 2-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol (CID 54856639) is 2-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol is CC(C(O)c1ccccc1)N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol?
The InChIKey is ZUJMLHJSXHDSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-13(17(20)15-6-4-3-5-7-15)19(2)12-14-8-10-16(18)11-9-14/h3-11,13,17,20H,12H2,1-2H3.
What are the key properties of 2-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol?
2-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol has a molecular weight of 289.81 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol is sourced from PubChem (CID 54856639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).