1-(3,4-dichloroanilino)-3-(4-methylphenyl)propan-2-ol

C16H17Cl2NO — CID 102465163

IUPAC1-(3,4-dichloroanilino)-3-(4-methylphenyl)propan-2-ol
SMILESCc1ccc(CC(O)CNc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H17Cl2NO/c1-11-2-4-12(5-3-11)8-14(20)10-19-13-6-7-15(17)16(18)9-13/h2-7,9,14,19-20H,8,10H2,1H3
InChIKeyXBWVROJJNJWPIN-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.32
Rot. Bonds5

About 1-(3,4-dichloroanilino)-3-(4-methylphenyl)propan-2-ol

1-(3,4-dichloroanilino)-3-(4-methylphenyl)propan-2-ol (PubChem CID 102465163) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 1-(3,4-dichloroanilino)-3-(4-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3,4-dichloroanilino)-3-(4-methylphenyl)propan-2-ol
PubChem CID102465163
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name1-(3,4-dichloroanilino)-3-(4-methylphenyl)propan-2-ol
SMILESCc1ccc(CC(O)CNc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H17Cl2NO/c1-11-2-4-12(5-3-11)8-14(20)10-19-13-6-7-15(17)16(18)9-13/h2-7,9,14,19-20H,8,10H2,1H3
InChIKeyXBWVROJJNJWPIN-UHFFFAOYSA-N
XLogP4.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dichloroanilino)-3-(4-methylphenyl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromoanilino)-3-(4-methylphenyl)propan-2-ol
CID 53486765
1-(4-chlorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 60798023
3-(3,4-dichloroanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 109019889
1-(4-chlorophenoxy)-3-(3,4-dichloroanilino)propan-2-ol
CID 63488455
1-(3,4-dichlorophenyl)-3-(4-ethylphenyl)propan-2-ol
CID 63410727
1-chloro-3-[3-chloro-4-(2,4-dimethylphenoxy)anilino]propan-2-ol
CID 168639426
1-(4-chlorophenyl)-2-(3,4-dichloroanilino)ethanol
CID 60724810
1-(3,4-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60897345
1-(2-chloro-5-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 102617916
methyl 2-bromo-3-(3,4-dichloroanilino)propanoate
CID 103233555
[(2S)-3-[(3,4-dichlorophenyl)methylamino]-2-hydroxypropyl]-[(4-methylphenyl)methyl]phosphinic acid;hydrochloride
CID 67764497
1-(3,4-dichlorophenyl)-4,4-dimethylpentan-2-ol
CID 63046678

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichloroanilino)-3-(4-methylphenyl)propan-2-ol?
The IUPAC name of 1-(3,4-dichloroanilino)-3-(4-methylphenyl)propan-2-ol (CID 102465163) is 1-(3,4-dichloroanilino)-3-(4-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-(3,4-dichloroanilino)-3-(4-methylphenyl)propan-2-ol?
The canonical SMILES for 1-(3,4-dichloroanilino)-3-(4-methylphenyl)propan-2-ol is Cc1ccc(CC(O)CNc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 1-(3,4-dichloroanilino)-3-(4-methylphenyl)propan-2-ol?
The InChIKey is XBWVROJJNJWPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-11-2-4-12(5-3-11)8-14(20)10-19-13-6-7-15(17)16(18)9-13/h2-7,9,14,19-20H,8,10H2,1H3.
What are the key properties of 1-(3,4-dichloroanilino)-3-(4-methylphenyl)propan-2-ol?
1-(3,4-dichloroanilino)-3-(4-methylphenyl)propan-2-ol has a molecular weight of 310.22 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichloroanilino)-3-(4-methylphenyl)propan-2-ol is sourced from PubChem (CID 102465163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).