2-(4-methoxyanilino)-2-phenylbutan-1-ol

C17H21NO2 — CID 61045130

IUPAC2-(4-methoxyanilino)-2-phenylbutan-1-ol
SMILESCCC(CO)(Nc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C17H21NO2/c1-3-17(13-19,14-7-5-4-6-8-14)18-15-9-11-16(20-2)12-10-15/h4-12,18-19H,3,13H2,1-2H3
InChIKeyPPNDBXMRPVQALZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.40
Rot. Bonds6

About 2-(4-methoxyanilino)-2-phenylbutan-1-ol

2-(4-methoxyanilino)-2-phenylbutan-1-ol (PubChem CID 61045130) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-(4-methoxyanilino)-2-phenylbutan-1-ol
PubChem CID61045130
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-(4-methoxyanilino)-2-phenylbutan-1-ol
SMILESCCC(CO)(Nc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C17H21NO2/c1-3-17(13-19,14-7-5-4-6-8-14)18-15-9-11-16(20-2)12-10-15/h4-12,18-19H,3,13H2,1-2H3
InChIKeyPPNDBXMRPVQALZ-UHFFFAOYSA-N
XLogP3.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.40
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

2-(4-methoxyanilino)-2-phenylpentan-1-ol
CID 61045133
2-(4-chlorophenyl)-2-(3-methoxyanilino)butan-1-ol
CID 61049075
2-(3-fluoroanilino)-2-phenylbutan-1-ol
CID 61048101
2-(3-fluorophenyl)-2-(3-methoxyanilino)butan-1-ol
CID 114872860
2-(4-methoxyanilino)-1,1-diphenylethanol
CID 101160453
4-[1-(4-hydroxyphenyl)-1-phenylpropyl]phenol;4-methoxy-N-(4-methoxyphenyl)aniline
CID 18698969
2-(4-methoxyanilino)-2-methyl-4-phenylbutan-1-ol
CID 61045480
2-(cyclohexylamino)-2-(4-methoxyphenyl)butan-1-ol
CID 61046739
2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)butan-1-ol
CID 61048016
4-[[(4-methoxyphenyl)-diphenylmethyl]amino]benzoic acid
CID 13008997
2-(cyclopropylmethylamino)-2-phenylbutan-1-ol
CID 61054828
2-anilino-4-(4-methoxyphenyl)-2-methylbutan-1-ol
CID 61047503

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-2-phenylbutan-1-ol?
The IUPAC name of 2-(4-methoxyanilino)-2-phenylbutan-1-ol (CID 61045130) is 2-(4-methoxyanilino)-2-phenylbutan-1-ol.
What is the SMILES notation for 2-(4-methoxyanilino)-2-phenylbutan-1-ol?
The canonical SMILES for 2-(4-methoxyanilino)-2-phenylbutan-1-ol is CCC(CO)(Nc1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of 2-(4-methoxyanilino)-2-phenylbutan-1-ol?
The InChIKey is PPNDBXMRPVQALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-17(13-19,14-7-5-4-6-8-14)18-15-9-11-16(20-2)12-10-15/h4-12,18-19H,3,13H2,1-2H3.
What are the key properties of 2-(4-methoxyanilino)-2-phenylbutan-1-ol?
2-(4-methoxyanilino)-2-phenylbutan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-2-phenylbutan-1-ol is sourced from PubChem (CID 61045130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).