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

C16H19Cl2NO2 — CID 132847052

IUPAC2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
SMILESCOc1ccc(CNCC(O)c2ccccc2)cc1Cl.Cl
InChIInChI=1S/C16H18ClNO2.ClH/c1-20-16-8-7-12(9-14(16)17)10-18-11-15(19)13-5-3-2-4-6-13;/h2-9,15,18-19H,10-11H2,1H3;1H
InChIKeySWFXMXTZJJXQHY-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.59
Rot. Bonds6

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

2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride (PubChem CID 132847052) has the molecular formula C16H19Cl2NO2 and a molecular weight of 328.24 g/mol. Its IUPAC name is 2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride.

Molecular Properties

Compound Name2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
PubChem CID132847052
Molecular FormulaC16H19Cl2NO2
Molecular Weight328.24 g/mol
Exact Mass327.08
IUPAC Name2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
SMILESCOc1ccc(CNCC(O)c2ccccc2)cc1Cl.Cl
InChIInChI=1S/C16H18ClNO2.ClH/c1-20-16-8-7-12(9-14(16)17)10-18-11-15(19)13-5-3-2-4-6-13;/h2-9,15,18-19H,10-11H2,1H3;1H
InChIKeySWFXMXTZJJXQHY-UHFFFAOYSA-N
XLogP3.59
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 29223950
(1R)-2-[2-(3-chloro-4-methoxyphenyl)ethylamino]-1-phenylethanol
CID 7319732
(1R)-2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol
CID 27004665
2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol;hydrochloride
CID 2978837
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 17295735
2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol
CID 2978838
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 4721212
1-phenyl-2-[(3,4,5-trimethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17295818
2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol
CID 4720119
2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride
CID 17333046
N-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 132843627
(1R)-2-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 7311622

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride?
The IUPAC name of 2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride (CID 132847052) is 2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride.
What is the SMILES notation for 2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride?
The canonical SMILES for 2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride is COc1ccc(CNCC(O)c2ccccc2)cc1Cl.Cl.
What is the InChIKey of 2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride?
The InChIKey is SWFXMXTZJJXQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2.ClH/c1-20-16-8-7-12(9-14(16)17)10-18-11-15(19)13-5-3-2-4-6-13;/h2-9,15,18-19H,10-11H2,1H3;1H.
What are the key properties of 2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride?
2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride has a molecular weight of 328.24 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride is sourced from PubChem (CID 132847052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).