2-(4-methoxyanilino)-1-(4-methylphenyl)-2-phenylethanol

C22H23NO2 — CID 101146915

IUPAC2-(4-methoxyanilino)-1-(4-methylphenyl)-2-phenylethanol
SMILESCOc1ccc(NC(c2ccccc2)C(O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H23NO2/c1-16-8-10-18(11-9-16)22(24)21(17-6-4-3-5-7-17)23-19-12-14-20(25-2)15-13-19/h3-15,21-24H,1-2H3
InChIKeyQAOFXWVQFMFGOG-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.89
Rot. Bonds6

About 2-(4-methoxyanilino)-1-(4-methylphenyl)-2-phenylethanol

2-(4-methoxyanilino)-1-(4-methylphenyl)-2-phenylethanol (PubChem CID 101146915) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-1-(4-methylphenyl)-2-phenylethanol.

Molecular Properties

Compound Name2-(4-methoxyanilino)-1-(4-methylphenyl)-2-phenylethanol
PubChem CID101146915
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name2-(4-methoxyanilino)-1-(4-methylphenyl)-2-phenylethanol
SMILESCOc1ccc(NC(c2ccccc2)C(O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H23NO2/c1-16-8-10-18(11-9-16)22(24)21(17-6-4-3-5-7-17)23-19-12-14-20(25-2)15-13-19/h3-15,21-24H,1-2H3
InChIKeyQAOFXWVQFMFGOG-UHFFFAOYSA-N
XLogP4.89
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.89
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

(1R,2R)-2-(4-methoxyanilino)-1,2-diphenylethanol
CID 102584488
(1R,2S,3S)-3-(4-methoxyanilino)-2-methyl-1,3-diphenylpropan-1-ol
CID 101373003
(1R)-2-(4-methoxyanilino)-1-phenylpropan-1-ol
CID 102174473
methyl (2S,3R)-2-hydroxy-3-(4-methoxyanilino)-3-phenylpropanoate
CID 102470524
(1S,2R)-1-N-(4-methoxyphenyl)-1-phenylbutane-1,2-diamine
CID 101421459
ethyl (2S,3R)-3-(4-methoxyanilino)-2-methyl-3-phenylpropanoate
CID 100975098
ethyl (2R,3R)-2-methoxy-3-(4-methoxyanilino)-3-phenylpropanoate
CID 101189863
methyl (2R,3S)-2-acetamido-3-(4-methoxyanilino)-3-(4-methylphenyl)propanoate
CID 102495983
(1R,2R)-2-hydrazinyl-1,2-bis(4-methoxyphenyl)ethanol
CID 124634382
methyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate
CID 60991897
ethyl (2S,3R)-2-hydroxy-3-(4-methylanilino)-3-phenylpropanoate
CID 101189884
ethyl 2-[anilino-(4-methoxyphenyl)methyl]butanoate
CID 171989556

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-1-(4-methylphenyl)-2-phenylethanol?
The IUPAC name of 2-(4-methoxyanilino)-1-(4-methylphenyl)-2-phenylethanol (CID 101146915) is 2-(4-methoxyanilino)-1-(4-methylphenyl)-2-phenylethanol.
What is the SMILES notation for 2-(4-methoxyanilino)-1-(4-methylphenyl)-2-phenylethanol?
The canonical SMILES for 2-(4-methoxyanilino)-1-(4-methylphenyl)-2-phenylethanol is COc1ccc(NC(c2ccccc2)C(O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-1-(4-methylphenyl)-2-phenylethanol?
The InChIKey is QAOFXWVQFMFGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-16-8-10-18(11-9-16)22(24)21(17-6-4-3-5-7-17)23-19-12-14-20(25-2)15-13-19/h3-15,21-24H,1-2H3.
What are the key properties of 2-(4-methoxyanilino)-1-(4-methylphenyl)-2-phenylethanol?
2-(4-methoxyanilino)-1-(4-methylphenyl)-2-phenylethanol has a molecular weight of 333.43 g/mol, XLogP of 4.89, 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-(4-methylphenyl)-2-phenylethanol is sourced from PubChem (CID 101146915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).