2-[(5-chloro-2-methoxyphenyl)methylamino]-3-phenylpropan-1-ol

C17H20ClNO2 — CID 63261455

IUPAC2-[(5-chloro-2-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
SMILESCOc1ccc(Cl)cc1CNC(CO)Cc1ccccc1
InChIInChI=1S/C17H20ClNO2/c1-21-17-8-7-15(18)10-14(17)11-19-16(12-20)9-13-5-3-2-4-6-13/h2-8,10,16,19-20H,9,11-12H2,1H3
InChIKeyFQMCORKQONFSDJ-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.04
Rot. Bonds7

About 2-[(5-chloro-2-methoxyphenyl)methylamino]-3-phenylpropan-1-ol

2-[(5-chloro-2-methoxyphenyl)methylamino]-3-phenylpropan-1-ol (PubChem CID 63261455) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxyphenyl)methylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
PubChem CID63261455
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name2-[(5-chloro-2-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
SMILESCOc1ccc(Cl)cc1CNC(CO)Cc1ccccc1
InChIInChI=1S/C17H20ClNO2/c1-21-17-8-7-15(18)10-14(17)11-19-16(12-20)9-13-5-3-2-4-6-13/h2-8,10,16,19-20H,9,11-12H2,1H3
InChIKeyFQMCORKQONFSDJ-UHFFFAOYSA-N
XLogP3.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-bromo-4-chlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 102610113
2-(benzylamino)-3-(3,4-dimethoxyphenyl)propan-1-ol
CID 59712221
N-[(5-chloro-2-methoxyphenyl)methyl]-1-phenylmethanamine
CID 4723308
(2S)-2-[(2-chlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 6612703
N-[(5-bromo-2-methoxyphenyl)methyl]-1-chloro-3-phenylpropan-2-amine
CID 65025817
(2R)-2-[(5-chloro-2-methoxyphenyl)methylamino]propanoic acid
CID 51690857
2-(5-chloro-2-methoxyphenyl)-N-(1,3-dihydroxypropan-2-yl)acetamide
CID 65312632
1-chloro-N-[(2-methoxyphenyl)methyl]-3-phenylpropan-2-amine
CID 65025474
2-[(2-bromo-5-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 65323842
(2R)-2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 51996369
N-[(5-chloro-2-methoxyphenyl)methyl]hexan-3-amine
CID 62117809
(2R)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 104922945

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methylamino]-3-phenylpropan-1-ol?
The IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methylamino]-3-phenylpropan-1-ol (CID 63261455) is 2-[(5-chloro-2-methoxyphenyl)methylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for 2-[(5-chloro-2-methoxyphenyl)methylamino]-3-phenylpropan-1-ol?
The canonical SMILES for 2-[(5-chloro-2-methoxyphenyl)methylamino]-3-phenylpropan-1-ol is COc1ccc(Cl)cc1CNC(CO)Cc1ccccc1.
What is the InChIKey of 2-[(5-chloro-2-methoxyphenyl)methylamino]-3-phenylpropan-1-ol?
The InChIKey is FQMCORKQONFSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-21-17-8-7-15(18)10-14(17)11-19-16(12-20)9-13-5-3-2-4-6-13/h2-8,10,16,19-20H,9,11-12H2,1H3.
What are the key properties of 2-[(5-chloro-2-methoxyphenyl)methylamino]-3-phenylpropan-1-ol?
2-[(5-chloro-2-methoxyphenyl)methylamino]-3-phenylpropan-1-ol has a molecular weight of 305.81 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxyphenyl)methylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 63261455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).