1-(4-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methylamino]propan-1-ol

C18H22ClNO3 — CID 111478472

IUPAC1-(4-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methylamino]propan-1-ol
SMILESCOc1cccc(CNC(C)C(O)c2ccc(Cl)cc2)c1OC
InChIInChI=1S/C18H22ClNO3/c1-12(17(21)13-7-9-15(19)10-8-13)20-11-14-5-4-6-16(22-2)18(14)23-3/h4-10,12,17,20-21H,11H2,1-3H3
InChIKeyCWENOTMOGINCKE-UHFFFAOYSA-N
MW335.83 g/mol
LogP3.57
Rot. Bonds7

About 1-(4-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methylamino]propan-1-ol

1-(4-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methylamino]propan-1-ol (PubChem CID 111478472) has the molecular formula C18H22ClNO3 and a molecular weight of 335.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methylamino]propan-1-ol
PubChem CID111478472
Molecular FormulaC18H22ClNO3
Molecular Weight335.83 g/mol
Exact Mass335.13
IUPAC Name1-(4-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methylamino]propan-1-ol
SMILESCOc1cccc(CNC(C)C(O)c2ccc(Cl)cc2)c1OC
InChIInChI=1S/C18H22ClNO3/c1-12(17(21)13-7-9-15(19)10-8-13)20-11-14-5-4-6-16(22-2)18(14)23-3/h4-10,12,17,20-21H,11H2,1-3H3
InChIKeyCWENOTMOGINCKE-UHFFFAOYSA-N
XLogP3.57
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2S)-2-[(2-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
CID 54310024
N-[(2,3-dimethoxyphenyl)methyl]-3-methylpentan-2-amine
CID 54949454
1-(4-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791683
(1S)-1-(4-bromophenyl)-N-[(2,3-dimethoxyphenyl)methyl]ethanamine
CID 81356463
(2S)-N-[(2,3-dimethoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 775451
N-[(2,3-dimethoxyphenyl)methyl]-1,1-diphenylmethanamine
CID 30611700
N-[(2,3-dimethoxyphenyl)methyl]-4-methylpentan-2-amine
CID 43371866
1-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]propan-1-ol
CID 667229
N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine
CID 11572077
(2S)-2-[(2,3-dimethoxyphenyl)methylamino]butan-1-ol
CID 7061563
1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)propan-1-ol
CID 82312968
methyl 2-[(2,3-dimethoxyphenyl)methylamino]-3-methylpentanoate
CID 43732350

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methylamino]propan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methylamino]propan-1-ol (CID 111478472) is 1-(4-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methylamino]propan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methylamino]propan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methylamino]propan-1-ol is COc1cccc(CNC(C)C(O)c2ccc(Cl)cc2)c1OC.
What is the InChIKey of 1-(4-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methylamino]propan-1-ol?
The InChIKey is CWENOTMOGINCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO3/c1-12(17(21)13-7-9-15(19)10-8-13)20-11-14-5-4-6-16(22-2)18(14)23-3/h4-10,12,17,20-21H,11H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methylamino]propan-1-ol?
1-(4-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methylamino]propan-1-ol has a molecular weight of 335.83 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methylamino]propan-1-ol is sourced from PubChem (CID 111478472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).