3-(4-chloro-2-methoxy-5-methylanilino)-2-methylpropan-1-ol

C12H18ClNO2 — CID 115871898

IUPAC3-(4-chloro-2-methoxy-5-methylanilino)-2-methylpropan-1-ol
SMILESCOc1cc(Cl)c(C)cc1NCC(C)CO
InChIInChI=1S/C12H18ClNO2/c1-8(7-15)6-14-11-4-9(2)10(13)5-12(11)16-3/h4-5,8,14-15H,6-7H2,1-3H3
InChIKeyPFPMNKOOCZMVFK-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.70
Rot. Bonds5

About 3-(4-chloro-2-methoxy-5-methylanilino)-2-methylpropan-1-ol

3-(4-chloro-2-methoxy-5-methylanilino)-2-methylpropan-1-ol (PubChem CID 115871898) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 3-(4-chloro-2-methoxy-5-methylanilino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(4-chloro-2-methoxy-5-methylanilino)-2-methylpropan-1-ol
PubChem CID115871898
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name3-(4-chloro-2-methoxy-5-methylanilino)-2-methylpropan-1-ol
SMILESCOc1cc(Cl)c(C)cc1NCC(C)CO
InChIInChI=1S/C12H18ClNO2/c1-8(7-15)6-14-11-4-9(2)10(13)5-12(11)16-3/h4-5,8,14-15H,6-7H2,1-3H3
InChIKeyPFPMNKOOCZMVFK-UHFFFAOYSA-N
XLogP2.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-chloro-2-methoxy-5-methylanilino)-2-methylpropan-1-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

3-(5-chloro-2,4-dimethoxyanilino)-2-methylpropan-1-ol
CID 113343821
2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 47123138
1-(4-chloro-2-methoxy-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989052
2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 47123139
4-chloro-2-methoxy-5-methyl-N-(2-methylidenebutyl)aniline
CID 66044486
4-chloro-2-methoxy-5-methyl-N-(3-methylbut-3-enyl)aniline
CID 114471885
2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 109007861
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630
3-(4-chloro-2-methoxy-5-methylanilino)-2,2-dimethylpropanoic acid
CID 79628845
5-chloro-2,4-dimethoxy-N-(2-methylpentyl)aniline
CID 43095051
3-(4-chloro-2-methoxy-5-methylanilino)propanenitrile
CID 43082744
3-(5-chloro-2-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol
CID 115135121

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methoxy-5-methylanilino)-2-methylpropan-1-ol?
The IUPAC name of 3-(4-chloro-2-methoxy-5-methylanilino)-2-methylpropan-1-ol (CID 115871898) is 3-(4-chloro-2-methoxy-5-methylanilino)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(4-chloro-2-methoxy-5-methylanilino)-2-methylpropan-1-ol?
The canonical SMILES for 3-(4-chloro-2-methoxy-5-methylanilino)-2-methylpropan-1-ol is COc1cc(Cl)c(C)cc1NCC(C)CO.
What is the InChIKey of 3-(4-chloro-2-methoxy-5-methylanilino)-2-methylpropan-1-ol?
The InChIKey is PFPMNKOOCZMVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-8(7-15)6-14-11-4-9(2)10(13)5-12(11)16-3/h4-5,8,14-15H,6-7H2,1-3H3.
What are the key properties of 3-(4-chloro-2-methoxy-5-methylanilino)-2-methylpropan-1-ol?
3-(4-chloro-2-methoxy-5-methylanilino)-2-methylpropan-1-ol has a molecular weight of 243.73 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methoxy-5-methylanilino)-2-methylpropan-1-ol is sourced from PubChem (CID 115871898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).