2-(4-chlorophenyl)-2-(3-methoxyanilino)butan-1-ol

C17H20ClNO2 — CID 61049075

IUPAC2-(4-chlorophenyl)-2-(3-methoxyanilino)butan-1-ol
SMILESCCC(CO)(Nc1cccc(OC)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO2/c1-3-17(12-20,13-7-9-14(18)10-8-13)19-15-5-4-6-16(11-15)21-2/h4-11,19-20H,3,12H2,1-2H3
InChIKeyVVKFJPRNRTVTOI-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.06
Rot. Bonds6

About 2-(4-chlorophenyl)-2-(3-methoxyanilino)butan-1-ol

2-(4-chlorophenyl)-2-(3-methoxyanilino)butan-1-ol (PubChem CID 61049075) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(3-methoxyanilino)butan-1-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(3-methoxyanilino)butan-1-ol
PubChem CID61049075
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name2-(4-chlorophenyl)-2-(3-methoxyanilino)butan-1-ol
SMILESCCC(CO)(Nc1cccc(OC)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO2/c1-3-17(12-20,13-7-9-14(18)10-8-13)19-15-5-4-6-16(11-15)21-2/h4-11,19-20H,3,12H2,1-2H3
InChIKeyVVKFJPRNRTVTOI-UHFFFAOYSA-N
XLogP4.06
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-2-(3-methoxyanilino)butan-1-ol
CID 114872860
2-(4-methoxyanilino)-2-phenylbutan-1-ol
CID 61045130
2-(4-chlorophenyl)-2-(3-methoxyanilino)propanenitrile
CID 46187811
4-methoxy-2-(3-methoxyanilino)-2,4-dimethylpentan-1-ol
CID 61050466
2-(3-methoxyanilino)-2-methylheptan-1-ol
CID 80558936
N-[2-(4-chlorophenoxy)propyl]-3-methoxyaniline
CID 54797523
2-(4-chloroanilino)-2-(4-methoxyphenyl)propan-1-ol
CID 61048116
2-ethyl-2-(3-methoxyanilino)-3-methylbutanenitrile
CID 54886890
N-[(2-chlorophenyl)methyl]-3-methoxyaniline
CID 23795463
2-(4-methoxyanilino)-2-phenylpentan-1-ol
CID 61045133
2-ethyl-2-(3-methoxyanilino)pentanenitrile
CID 114079942
2-amino-2-ethyl-N-(3-methoxyphenyl)butanamide
CID 79809500

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(3-methoxyanilino)butan-1-ol?
The IUPAC name of 2-(4-chlorophenyl)-2-(3-methoxyanilino)butan-1-ol (CID 61049075) is 2-(4-chlorophenyl)-2-(3-methoxyanilino)butan-1-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(3-methoxyanilino)butan-1-ol?
The canonical SMILES for 2-(4-chlorophenyl)-2-(3-methoxyanilino)butan-1-ol is CCC(CO)(Nc1cccc(OC)c1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(3-methoxyanilino)butan-1-ol?
The InChIKey is VVKFJPRNRTVTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-3-17(12-20,13-7-9-14(18)10-8-13)19-15-5-4-6-16(11-15)21-2/h4-11,19-20H,3,12H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-2-(3-methoxyanilino)butan-1-ol?
2-(4-chlorophenyl)-2-(3-methoxyanilino)butan-1-ol has a molecular weight of 305.81 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(3-methoxyanilino)butan-1-ol is sourced from PubChem (CID 61049075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).