1-(4-chlorophenyl)-2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethanol

C18H22ClNO3 — CID 110885649

IUPAC1-(4-chlorophenyl)-2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethanol
SMILESCCOc1cc(CNCC(O)c2ccc(Cl)cc2)ccc1OC
InChIInChI=1S/C18H22ClNO3/c1-3-23-18-10-13(4-9-17(18)22-2)11-20-12-16(21)14-5-7-15(19)8-6-14/h4-10,16,20-21H,3,11-12H2,1-2H3
InChIKeyLIXVWSKWZVXUEJ-UHFFFAOYSA-N
MW335.83 g/mol
LogP3.57
Rot. Bonds8

About 1-(4-chlorophenyl)-2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethanol

1-(4-chlorophenyl)-2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethanol (PubChem CID 110885649) has the molecular formula C18H22ClNO3 and a molecular weight of 335.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethanol
PubChem CID110885649
Molecular FormulaC18H22ClNO3
Molecular Weight335.83 g/mol
Exact Mass335.13
IUPAC Name1-(4-chlorophenyl)-2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethanol
SMILESCCOc1cc(CNCC(O)c2ccc(Cl)cc2)ccc1OC
InChIInChI=1S/C18H22ClNO3/c1-3-23-18-10-13(4-9-17(18)22-2)11-20-12-16(21)14-5-7-15(19)8-6-14/h4-10,16,20-21H,3,11-12H2,1-2H3
InChIKeyLIXVWSKWZVXUEJ-UHFFFAOYSA-N
XLogP3.57
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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

2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 4721212
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 17295735
2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol
CID 4720430
5-[[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]methyl]-2-methoxyphenol
CID 94803138
(2S)-1-[(3-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol
CID 51432607
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 4717598
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
(1R)-2-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol
CID 51992940
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2-dimethoxyethanamine
CID 22226486
1-(4-chlorophenyl)-2-[(2-methoxy-4-pyridinyl)methylamino]ethanol
CID 62989373
(1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 29223950
2-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol;hydrochloride
CID 17294955

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethanol (CID 110885649) is 1-(4-chlorophenyl)-2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethanol is CCOc1cc(CNCC(O)c2ccc(Cl)cc2)ccc1OC.
What is the InChIKey of 1-(4-chlorophenyl)-2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethanol?
The InChIKey is LIXVWSKWZVXUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO3/c1-3-23-18-10-13(4-9-17(18)22-2)11-20-12-16(21)14-5-7-15(19)8-6-14/h4-10,16,20-21H,3,11-12H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethanol?
1-(4-chlorophenyl)-2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethanol has a molecular weight of 335.83 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethanol is sourced from PubChem (CID 110885649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).