3-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol

C17H20ClNO — CID 62611608

IUPAC3-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol
SMILESCN(CCC(O)c1ccccc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO/c1-19(13-14-7-9-16(18)10-8-14)12-11-17(20)15-5-3-2-4-6-15/h2-10,17,20H,11-13H2,1H3
InChIKeyLPUGEWYLSDMJLG-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.90
Rot. Bonds6

About 3-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol

3-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol (PubChem CID 62611608) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol
PubChem CID62611608
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name3-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol
SMILESCN(CCC(O)c1ccccc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO/c1-19(13-14-7-9-16(18)10-8-14)12-11-17(20)15-5-3-2-4-6-15/h2-10,17,20H,11-13H2,1H3
InChIKeyLPUGEWYLSDMJLG-UHFFFAOYSA-N
XLogP3.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol
CID 62643532
3-[methyl-[(4-methylphenyl)methyl]amino]-1-phenylpropan-1-ol
CID 62612269
3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-phenylpropan-1-ol
CID 11347068
N'-[(4-chlorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine
CID 61414808
3-[methyl-[(4-nitrophenyl)methyl]amino]-1-phenylpropan-1-ol
CID 141224806
4-[benzyl(methyl)amino]-1-(3-chlorophenyl)butan-1-ol
CID 91535520
(1S)-3-[[6-(dimethylamino)-3-pyridinyl]methyl-methylamino]-1-phenylpropan-1-ol
CID 99957750
1-(4-chlorophenyl)-3-(N-methylanilino)propan-1-ol
CID 62643881
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
3-[2-(dimethylamino)ethyl-methylamino]-1-phenylpropan-1-ol
CID 63700698
1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-ol
CID 62629838
1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62644202

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol?
The IUPAC name of 3-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol (CID 62611608) is 3-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol?
The canonical SMILES for 3-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol is CN(CCC(O)c1ccccc1)Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol?
The InChIKey is LPUGEWYLSDMJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-19(13-14-7-9-16(18)10-8-14)12-11-17(20)15-5-3-2-4-6-15/h2-10,17,20H,11-13H2,1H3.
What are the key properties of 3-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol?
3-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol has a molecular weight of 289.81 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol is sourced from PubChem (CID 62611608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).