2-(4-chloroanilino)-2-(3,4-dimethylphenyl)propan-1-ol

C17H20ClNO — CID 61049896

IUPAC2-(4-chloroanilino)-2-(3,4-dimethylphenyl)propan-1-ol
SMILESCc1ccc(C(C)(CO)Nc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C17H20ClNO/c1-12-4-5-14(10-13(12)2)17(3,11-20)19-16-8-6-15(18)7-9-16/h4-10,19-20H,11H2,1-3H3
InChIKeyPJRUPAFZOSUYPX-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.28
Rot. Bonds4

About 2-(4-chloroanilino)-2-(3,4-dimethylphenyl)propan-1-ol

2-(4-chloroanilino)-2-(3,4-dimethylphenyl)propan-1-ol (PubChem CID 61049896) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-(4-chloroanilino)-2-(3,4-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(4-chloroanilino)-2-(3,4-dimethylphenyl)propan-1-ol
PubChem CID61049896
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name2-(4-chloroanilino)-2-(3,4-dimethylphenyl)propan-1-ol
SMILESCc1ccc(C(C)(CO)Nc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C17H20ClNO/c1-12-4-5-14(10-13(12)2)17(3,11-20)19-16-8-6-15(18)7-9-16/h4-10,19-20H,11H2,1-3H3
InChIKeyPJRUPAFZOSUYPX-UHFFFAOYSA-N
XLogP4.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-fluorophenyl)-2-(4-chloroanilino)propan-1-ol
CID 62913164
2-(1,3-benzodioxol-5-yl)-2-(4-chloroanilino)propan-1-ol
CID 61048114
2-(4-chloroanilino)-2-(4-methoxyphenyl)propan-1-ol
CID 61048116
2-(3,4-dimethylphenyl)-2-(3-fluoroanilino)propan-1-ol
CID 61047714
2-(3,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol
CID 61054133
2-(5-bromofuran-2-yl)-2-(4-chloroanilino)propan-1-ol
CID 104653916
2-(2-chloroanilino)-2-(4-chlorophenyl)propan-1-ol
CID 61050132
2-(3-methoxyphenyl)-2-(4-methylanilino)propan-1-ol
CID 61045679
2-(4-chloroanilino)-2-methylpentan-1-ol
CID 61047723
2-(4-fluoroanilino)-2-(2,4,6-trimethylphenyl)propan-1-ol
CID 61048556
2-(3-bromo-4-fluorophenyl)-2-(2-chloroanilino)propan-1-ol
CID 62914828
2-[4-(dimethylamino)phenyl]-2-(4-fluoroanilino)propan-1-ol
CID 61050347

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-2-(3,4-dimethylphenyl)propan-1-ol?
The IUPAC name of 2-(4-chloroanilino)-2-(3,4-dimethylphenyl)propan-1-ol (CID 61049896) is 2-(4-chloroanilino)-2-(3,4-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 2-(4-chloroanilino)-2-(3,4-dimethylphenyl)propan-1-ol?
The canonical SMILES for 2-(4-chloroanilino)-2-(3,4-dimethylphenyl)propan-1-ol is Cc1ccc(C(C)(CO)Nc2ccc(Cl)cc2)cc1C.
What is the InChIKey of 2-(4-chloroanilino)-2-(3,4-dimethylphenyl)propan-1-ol?
The InChIKey is PJRUPAFZOSUYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-12-4-5-14(10-13(12)2)17(3,11-20)19-16-8-6-15(18)7-9-16/h4-10,19-20H,11H2,1-3H3.
What are the key properties of 2-(4-chloroanilino)-2-(3,4-dimethylphenyl)propan-1-ol?
2-(4-chloroanilino)-2-(3,4-dimethylphenyl)propan-1-ol has a molecular weight of 289.81 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-2-(3,4-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 61049896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).