2-(N-benzhydryl-4-methoxyanilino)ethanol

C22H23NO2 — CID 67427582

IUPAC2-(N-benzhydryl-4-methoxyanilino)ethanol
SMILESCOc1ccc(N(CCO)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H23NO2/c1-25-21-14-12-20(13-15-21)23(16-17-24)22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,22,24H,16-17H2,1H3
InChIKeyURYPGTMINYGSAT-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.28
Rot. Bonds7

About 2-(N-benzhydryl-4-methoxyanilino)ethanol

2-(N-benzhydryl-4-methoxyanilino)ethanol (PubChem CID 67427582) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-(N-benzhydryl-4-methoxyanilino)ethanol.

Molecular Properties

Compound Name2-(N-benzhydryl-4-methoxyanilino)ethanol
PubChem CID67427582
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name2-(N-benzhydryl-4-methoxyanilino)ethanol
SMILESCOc1ccc(N(CCO)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H23NO2/c1-25-21-14-12-20(13-15-21)23(16-17-24)22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,22,24H,16-17H2,1H3
InChIKeyURYPGTMINYGSAT-UHFFFAOYSA-N
XLogP4.28
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
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

2-[2-(N-benzhydryl-4-methoxyanilino)ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]acetic acid
CID 22364297
2-[(4-methoxyphenyl)-phenylmethoxy]ethanol
CID 54566814
carbamic acid;2-[N-(2-hydroxyethyl)-4-methoxyanilino]ethanol
CID 71435780
1-methoxy-4-[2-[2-(4-methoxyphenyl)-1-phenylethoxy]-2-phenylethyl]benzene
CID 22357970
2-(4-methoxy-N-(4-methoxyphenyl)anilino)butane-1,4-diol
CID 70271768
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
5-(4-methoxyphenyl)-3-phenylpentan-1-ol
CID 71490427
(2R)-2-(4-methoxy-N-propylanilino)propanoic acid
CID 125045208
CID 102355636
CID 102355636
1-[benzyl(2-hydroxyethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 21237741
3-(2-hydroxyethylsulfanyl)-3-(4-methoxyphenyl)-1-phenylpropan-1-ol
CID 71613218

Frequently Asked Questions

What is the IUPAC name of 2-(N-benzhydryl-4-methoxyanilino)ethanol?
The IUPAC name of 2-(N-benzhydryl-4-methoxyanilino)ethanol (CID 67427582) is 2-(N-benzhydryl-4-methoxyanilino)ethanol.
What is the SMILES notation for 2-(N-benzhydryl-4-methoxyanilino)ethanol?
The canonical SMILES for 2-(N-benzhydryl-4-methoxyanilino)ethanol is COc1ccc(N(CCO)C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(N-benzhydryl-4-methoxyanilino)ethanol?
The InChIKey is URYPGTMINYGSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-25-21-14-12-20(13-15-21)23(16-17-24)22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,22,24H,16-17H2,1H3.
What are the key properties of 2-(N-benzhydryl-4-methoxyanilino)ethanol?
2-(N-benzhydryl-4-methoxyanilino)ethanol has a molecular weight of 333.43 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-benzhydryl-4-methoxyanilino)ethanol is sourced from PubChem (CID 67427582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).