2-[(3-chloro-4-methoxyphenyl)methyl-methylamino]-1-phenylethanol

C17H20ClNO2 — CID 20766059

IUPAC2-[(3-chloro-4-methoxyphenyl)methyl-methylamino]-1-phenylethanol
SMILESCOc1ccc(CN(C)CC(O)c2ccccc2)cc1Cl
InChIInChI=1S/C17H20ClNO2/c1-19(12-16(20)14-6-4-3-5-7-14)11-13-8-9-17(21-2)15(18)10-13/h3-10,16,20H,11-12H2,1-2H3
InChIKeyZYKPVIOBUBFBTO-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.51
Rot. Bonds6

About 2-[(3-chloro-4-methoxyphenyl)methyl-methylamino]-1-phenylethanol

2-[(3-chloro-4-methoxyphenyl)methyl-methylamino]-1-phenylethanol (PubChem CID 20766059) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-[(3-chloro-4-methoxyphenyl)methyl-methylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(3-chloro-4-methoxyphenyl)methyl-methylamino]-1-phenylethanol
PubChem CID20766059
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name2-[(3-chloro-4-methoxyphenyl)methyl-methylamino]-1-phenylethanol
SMILESCOc1ccc(CN(C)CC(O)c2ccccc2)cc1Cl
InChIInChI=1S/C17H20ClNO2/c1-19(12-16(20)14-6-4-3-5-7-14)11-13-8-9-17(21-2)15(18)10-13/h3-10,16,20H,11-12H2,1-2H3
InChIKeyZYKPVIOBUBFBTO-UHFFFAOYSA-N
XLogP3.51
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-2-methoxyphenol
CID 13248722
(1R)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-phenylethanol
CID 2119815
(1S)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-phenylethanol
CID 2119817
1-(3-chloro-4-methoxyphenyl)-N-(chloromethyl)-N-methylmethanamine
CID 115263145
4-[[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]methyl]-2-methoxyphenol
CID 111825465
[2-chloro-4-[[[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropyl]-methylamino]methyl]phenyl] hypoiodite
CID 142099027
(1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 29223950
2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 132847052
(1R)-2-[2-(3-chloro-4-methoxyphenyl)ethylamino]-1-phenylethanol
CID 7319732
(1R)-2-[(2,4-dichlorophenyl)methyl-methylamino]-1-phenylethanol
CID 30980110
4-[(1R)-2-[(3-chloro-4-methoxyphenyl)methyl-propan-2-ylamino]-1-hydroxyethyl]benzene-1,2-diol
CID 59046182
N-[(3-chloro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
CID 115140765

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methoxyphenyl)methyl-methylamino]-1-phenylethanol?
The IUPAC name of 2-[(3-chloro-4-methoxyphenyl)methyl-methylamino]-1-phenylethanol (CID 20766059) is 2-[(3-chloro-4-methoxyphenyl)methyl-methylamino]-1-phenylethanol.
What is the SMILES notation for 2-[(3-chloro-4-methoxyphenyl)methyl-methylamino]-1-phenylethanol?
The canonical SMILES for 2-[(3-chloro-4-methoxyphenyl)methyl-methylamino]-1-phenylethanol is COc1ccc(CN(C)CC(O)c2ccccc2)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-methoxyphenyl)methyl-methylamino]-1-phenylethanol?
The InChIKey is ZYKPVIOBUBFBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-19(12-16(20)14-6-4-3-5-7-14)11-13-8-9-17(21-2)15(18)10-13/h3-10,16,20H,11-12H2,1-2H3.
What are the key properties of 2-[(3-chloro-4-methoxyphenyl)methyl-methylamino]-1-phenylethanol?
2-[(3-chloro-4-methoxyphenyl)methyl-methylamino]-1-phenylethanol has a molecular weight of 305.81 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methoxyphenyl)methyl-methylamino]-1-phenylethanol is sourced from PubChem (CID 20766059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).