2-[[1-(4-chloroanilino)-2,2-diphenylethenyl]amino]ethanol

C22H21ClN2O — CID 2267368

IUPAC2-[[1-(4-chloroanilino)-2,2-diphenylethenyl]amino]ethanol
SMILESOCCNC(Nc1ccc(Cl)cc1)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21ClN2O/c23-19-11-13-20(14-12-19)25-22(24-15-16-26)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,24-26H,15-16H2
InChIKeySNGWUMDVWCKFTI-UHFFFAOYSA-N
MW364.88 g/mol
LogP4.75
Rot. Bonds7

About 2-[[1-(4-chloroanilino)-2,2-diphenylethenyl]amino]ethanol

2-[[1-(4-chloroanilino)-2,2-diphenylethenyl]amino]ethanol (PubChem CID 2267368) has the molecular formula C22H21ClN2O and a molecular weight of 364.88 g/mol. Its IUPAC name is 2-[[1-(4-chloroanilino)-2,2-diphenylethenyl]amino]ethanol.

Molecular Properties

Compound Name2-[[1-(4-chloroanilino)-2,2-diphenylethenyl]amino]ethanol
PubChem CID2267368
Molecular FormulaC22H21ClN2O
Molecular Weight364.88 g/mol
Exact Mass364.13
IUPAC Name2-[[1-(4-chloroanilino)-2,2-diphenylethenyl]amino]ethanol
SMILESOCCNC(Nc1ccc(Cl)cc1)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21ClN2O/c23-19-11-13-20(14-12-19)25-22(24-15-16-26)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,24-26H,15-16H2
InChIKeySNGWUMDVWCKFTI-UHFFFAOYSA-N
XLogP4.75
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chloroanilino)ethyl]benzamide
CID 15324175
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
N-[4-(2-benzamidoethylcarbamoyl)phenyl]-2,4-dichlorobenzamide
CID 121063142
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1100705
1-(4-chlorophenyl)-3-[2-(tritylamino)ethyl]urea
CID 134119794
3,5-dichloro-N-[4-(2-hydroxyethylcarbamoyl)phenyl]benzamide
CID 78862424
1-N-benzyl-1-N'-(4-chlorophenyl)ethene-1,1-diamine
CID 142556397
1-N-benzyl-3-N-(4-chlorophenyl)benzene-1,3-dicarboxamide
CID 109054145
N-[4-[(4-chlorophenyl)methylamino]phenyl]benzamide
CID 112982578
N'-(4-chlorophenyl)-N-(2-phenylethyl)propanediamide
CID 108947987
(Z)-3-(4-chloroanilino)-1-phenylbut-2-en-1-one
CID 5408006
4-chloro-N-[1-(3,5-dimethylpyrazol-1-yl)-2,2-diphenylethenyl]aniline
CID 56695309

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chloroanilino)-2,2-diphenylethenyl]amino]ethanol?
The IUPAC name of 2-[[1-(4-chloroanilino)-2,2-diphenylethenyl]amino]ethanol (CID 2267368) is 2-[[1-(4-chloroanilino)-2,2-diphenylethenyl]amino]ethanol.
What is the SMILES notation for 2-[[1-(4-chloroanilino)-2,2-diphenylethenyl]amino]ethanol?
The canonical SMILES for 2-[[1-(4-chloroanilino)-2,2-diphenylethenyl]amino]ethanol is OCCNC(Nc1ccc(Cl)cc1)=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[1-(4-chloroanilino)-2,2-diphenylethenyl]amino]ethanol?
The InChIKey is SNGWUMDVWCKFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O/c23-19-11-13-20(14-12-19)25-22(24-15-16-26)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,24-26H,15-16H2.
What are the key properties of 2-[[1-(4-chloroanilino)-2,2-diphenylethenyl]amino]ethanol?
2-[[1-(4-chloroanilino)-2,2-diphenylethenyl]amino]ethanol has a molecular weight of 364.88 g/mol, XLogP of 4.75, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chloroanilino)-2,2-diphenylethenyl]amino]ethanol is sourced from PubChem (CID 2267368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).