2-(4-methoxyanilino)-1,1-diphenylethanol

C21H21NO2 — CID 101160453

IUPAC2-(4-methoxyanilino)-1,1-diphenylethanol
SMILESCOc1ccc(NCC(O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H21NO2/c1-24-20-14-12-19(13-15-20)22-16-21(23,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,22-23H,16H2,1H3
InChIKeyOINAATAVJHKWQS-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.04
Rot. Bonds6

About 2-(4-methoxyanilino)-1,1-diphenylethanol

2-(4-methoxyanilino)-1,1-diphenylethanol (PubChem CID 101160453) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-1,1-diphenylethanol.

Molecular Properties

Compound Name2-(4-methoxyanilino)-1,1-diphenylethanol
PubChem CID101160453
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name2-(4-methoxyanilino)-1,1-diphenylethanol
SMILESCOc1ccc(NCC(O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H21NO2/c1-24-20-14-12-19(13-15-20)22-16-21(23,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,22-23H,16H2,1H3
InChIKeyOINAATAVJHKWQS-UHFFFAOYSA-N
XLogP4.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-(2,2,2-trifluoroethyl)aniline
CID 28585897
2-fluoro-3-(4-methoxyanilino)-2-methylpropanoic acid
CID 105484472
2-(4-methoxyanilino)-2-phenylpentan-1-ol
CID 61045133
1-(4-methoxyphenoxy)-2-phenylpropan-2-ol
CID 62373674
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
2-(4-methoxyphenyl)sulfanyl-1,1-diphenylethanol
CID 2767182
2-(4-methoxyanilino)-2-phenylbutan-1-ol
CID 61045130
1-(4-tert-butylanilino)-2-phenylpropan-2-ol
CID 62373659
4-[1-(4-hydroxyphenyl)-1-phenylpropyl]phenol;4-methoxy-N-(4-methoxyphenyl)aniline
CID 18698969
ethyl 2,2-difluoro-3-(4-methoxyanilino)propanoate
CID 12981865
2-[(S)-(4-methoxyphenyl)sulfinyl]-1,1-diphenylethanol
CID 11864321
2-[(2-hydroxy-2,2-diphenylethyl)amino]-1,1-diphenylethanol
CID 142761878

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-1,1-diphenylethanol?
The IUPAC name of 2-(4-methoxyanilino)-1,1-diphenylethanol (CID 101160453) is 2-(4-methoxyanilino)-1,1-diphenylethanol.
What is the SMILES notation for 2-(4-methoxyanilino)-1,1-diphenylethanol?
The canonical SMILES for 2-(4-methoxyanilino)-1,1-diphenylethanol is COc1ccc(NCC(O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-1,1-diphenylethanol?
The InChIKey is OINAATAVJHKWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-24-20-14-12-19(13-15-20)22-16-21(23,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,22-23H,16H2,1H3.
What are the key properties of 2-(4-methoxyanilino)-1,1-diphenylethanol?
2-(4-methoxyanilino)-1,1-diphenylethanol has a molecular weight of 319.40 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-1,1-diphenylethanol is sourced from PubChem (CID 101160453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).