1-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]ethanol;hydrochloride

C18H23Cl2NO3 — CID 21406688

IUPAC1-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]ethanol;hydrochloride
SMILESCOc1ccc(CCNCC(O)c2ccccc2Cl)cc1OC.Cl
InChIInChI=1S/C18H22ClNO3.ClH/c1-22-17-8-7-13(11-18(17)23-2)9-10-20-12-16(21)14-5-3-4-6-15(14)19;/h3-8,11,16,20-21H,9-10,12H2,1-2H3;1H
InChIKeyJXVGZSPHVKDYJI-UHFFFAOYSA-N
MW372.29 g/mol
LogP3.64
Rot. Bonds8

About 1-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]ethanol;hydrochloride

1-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]ethanol;hydrochloride (PubChem CID 21406688) has the molecular formula C18H23Cl2NO3 and a molecular weight of 372.29 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]ethanol;hydrochloride.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]ethanol;hydrochloride
PubChem CID21406688
Molecular FormulaC18H23Cl2NO3
Molecular Weight372.29 g/mol
Exact Mass371.11
IUPAC Name1-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]ethanol;hydrochloride
SMILESCOc1ccc(CCNCC(O)c2ccccc2Cl)cc1OC.Cl
InChIInChI=1S/C18H22ClNO3.ClH/c1-22-17-8-7-13(11-18(17)23-2)9-10-20-12-16(21)14-5-3-4-6-15(14)19;/h3-8,11,16,20-21H,9-10,12H2,1-2H3;1H
InChIKeyJXVGZSPHVKDYJI-UHFFFAOYSA-N
XLogP3.64
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-2-[2-(3-chloro-4-methoxyphenyl)ethylamino]-1-phenylethanol
CID 7319732
1-(2-chlorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol
CID 62315005
N-[(2,6-dichlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
CID 17290505
1-(2-methoxy-5-methylphenyl)-2-(2-phenylethylamino)ethanol
CID 60897173
[1-(2-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethyl]hydrazine
CID 105203864
1-(2-chlorophenyl)-2-(2-pyridin-4-ylethylamino)ethanol
CID 54937792
N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexane-1,6-diamine;hydrochloride
CID 44522461
1-chloro-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-1-ol
CID 151046701
1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-phenylmethoxypropan-2-ol
CID 102417589
(2S)-1-(4-chlorophenoxy)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-2-ol
CID 2293457
2-(3,4-dimethoxyphenyl)-N-[(4-ethylphenyl)methyl]ethanamine;hydrochloride
CID 17290561
2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 132847052

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]ethanol;hydrochloride?
The IUPAC name of 1-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]ethanol;hydrochloride (CID 21406688) is 1-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]ethanol;hydrochloride.
What is the SMILES notation for 1-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]ethanol;hydrochloride?
The canonical SMILES for 1-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]ethanol;hydrochloride is COc1ccc(CCNCC(O)c2ccccc2Cl)cc1OC.Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]ethanol;hydrochloride?
The InChIKey is JXVGZSPHVKDYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO3.ClH/c1-22-17-8-7-13(11-18(17)23-2)9-10-20-12-16(21)14-5-3-4-6-15(14)19;/h3-8,11,16,20-21H,9-10,12H2,1-2H3;1H.
What are the key properties of 1-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]ethanol;hydrochloride?
1-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]ethanol;hydrochloride has a molecular weight of 372.29 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]ethanol;hydrochloride is sourced from PubChem (CID 21406688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).