2-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol;hydrochloride

C24H27Cl2NO3 — CID 17294955

IUPAC2-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol;hydrochloride
SMILESCCOc1cc(CNCC(O)c2ccccc2)ccc1OCc1ccccc1Cl.Cl
InChIInChI=1S/C24H26ClNO3.ClH/c1-2-28-24-14-18(15-26-16-22(27)19-8-4-3-5-9-19)12-13-23(24)29-17-20-10-6-7-11-21(20)25;/h3-14,22,26-27H,2,15-17H2,1H3;1H
InChIKeyVIPIJYHOEIBDFO-UHFFFAOYSA-N
MW448.39 g/mol
LogP5.56
Rot. Bonds10

About 2-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol;hydrochloride

2-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol;hydrochloride (PubChem CID 17294955) has the molecular formula C24H27Cl2NO3 and a molecular weight of 448.39 g/mol. Its IUPAC name is 2-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol;hydrochloride.

Molecular Properties

Compound Name2-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol;hydrochloride
PubChem CID17294955
Molecular FormulaC24H27Cl2NO3
Molecular Weight448.39 g/mol
Exact Mass447.14
IUPAC Name2-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol;hydrochloride
SMILESCCOc1cc(CNCC(O)c2ccccc2)ccc1OCc1ccccc1Cl.Cl
InChIInChI=1S/C24H26ClNO3.ClH/c1-2-28-24-14-18(15-26-16-22(27)19-8-4-3-5-9-19)12-13-23(24)29-17-20-10-6-7-11-21(20)25;/h3-14,22,26-27H,2,15-17H2,1H3;1H
InChIKeyVIPIJYHOEIBDFO-UHFFFAOYSA-N
XLogP5.56
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.39
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol
CID 4720430
(1R)-2-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol
CID 51992940
2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol
CID 4720604
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 17295735
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 4721212
2-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol
CID 66530738
(1R)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 27153591
N'-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-N-ethylpropane-1,3-diamine
CID 17215470
(1R)-2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol
CID 27004665
2-[3-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propylamino]ethanol
CID 17214095
N',N'-dibutyl-N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]propane-1,3-diamine;dihydrochloride
CID 17214531
N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
CID 17290516

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol;hydrochloride?
The IUPAC name of 2-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol;hydrochloride (CID 17294955) is 2-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol;hydrochloride.
What is the SMILES notation for 2-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol;hydrochloride?
The canonical SMILES for 2-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol;hydrochloride is CCOc1cc(CNCC(O)c2ccccc2)ccc1OCc1ccccc1Cl.Cl.
What is the InChIKey of 2-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol;hydrochloride?
The InChIKey is VIPIJYHOEIBDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClNO3.ClH/c1-2-28-24-14-18(15-26-16-22(27)19-8-4-3-5-9-19)12-13-23(24)29-17-20-10-6-7-11-21(20)25;/h3-14,22,26-27H,2,15-17H2,1H3;1H.
What are the key properties of 2-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol;hydrochloride?
2-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol;hydrochloride has a molecular weight of 448.39 g/mol, XLogP of 5.56, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol;hydrochloride is sourced from PubChem (CID 17294955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).