2-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol

C24H25Cl2NO3 — CID 66531949

IUPAC2-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol
SMILESCCOc1cc(CNCC(O)c2ccccc2)c(Cl)cc1OCc1cccc(Cl)c1
InChIInChI=1S/C24H25Cl2NO3/c1-2-29-23-12-19(14-27-15-22(28)18-8-4-3-5-9-18)21(26)13-24(23)30-16-17-7-6-10-20(25)11-17/h3-13,22,27-28H,2,14-16H2,1H3
InChIKeyWNDKTNIFDMIZSD-UHFFFAOYSA-N
MW446.37 g/mol
LogP5.79
Rot. Bonds10

About 2-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol

2-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol (PubChem CID 66531949) has the molecular formula C24H25Cl2NO3 and a molecular weight of 446.37 g/mol. Its IUPAC name is 2-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol
PubChem CID66531949
Molecular FormulaC24H25Cl2NO3
Molecular Weight446.37 g/mol
Exact Mass445.12
IUPAC Name2-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol
SMILESCCOc1cc(CNCC(O)c2ccccc2)c(Cl)cc1OCc1cccc(Cl)c1
InChIInChI=1S/C24H25Cl2NO3/c1-2-29-23-12-19(14-27-15-22(28)18-8-4-3-5-9-18)21(26)13-24(23)30-16-17-7-6-10-20(25)11-17/h3-13,22,27-28H,2,14-16H2,1H3
InChIKeyWNDKTNIFDMIZSD-UHFFFAOYSA-N
XLogP5.79
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.37
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol
CID 66530738
(1R)-2-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol
CID 51992940
2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol
CID 4720430
(2S)-1-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol
CID 51997058
2-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol;hydrochloride
CID 17294955
N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]pentan-1-amine
CID 66530681
N-[[2-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 66531414
2-[(2-bromo-4,5-diethoxyphenyl)methylamino]-1-phenylethanol
CID 66533959
2-[2-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol
CID 66537637
1-[[2-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 66531113
2,4-dichloro-N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]aniline
CID 66542326
N-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
CID 66531992

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol?
The IUPAC name of 2-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol (CID 66531949) is 2-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol.
What is the SMILES notation for 2-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol?
The canonical SMILES for 2-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol is CCOc1cc(CNCC(O)c2ccccc2)c(Cl)cc1OCc1cccc(Cl)c1.
What is the InChIKey of 2-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol?
The InChIKey is WNDKTNIFDMIZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2NO3/c1-2-29-23-12-19(14-27-15-22(28)18-8-4-3-5-9-18)21(26)13-24(23)30-16-17-7-6-10-20(25)11-17/h3-13,22,27-28H,2,14-16H2,1H3.
What are the key properties of 2-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol?
2-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol has a molecular weight of 446.37 g/mol, XLogP of 5.79, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol is sourced from PubChem (CID 66531949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).