1-(2-chloro-5-methoxyanilino)-2-methylbutan-2-ol

C12H18ClNO2 — CID 114492958

IUPAC1-(2-chloro-5-methoxyanilino)-2-methylbutan-2-ol
SMILESCCC(C)(O)CNc1cc(OC)ccc1Cl
InChIInChI=1S/C12H18ClNO2/c1-4-12(2,15)8-14-11-7-9(16-3)5-6-10(11)13/h5-7,14-15H,4,8H2,1-3H3
InChIKeyOYMKIKDWOHODLP-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.92
Rot. Bonds5

About 1-(2-chloro-5-methoxyanilino)-2-methylbutan-2-ol

1-(2-chloro-5-methoxyanilino)-2-methylbutan-2-ol (PubChem CID 114492958) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 1-(2-chloro-5-methoxyanilino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-5-methoxyanilino)-2-methylbutan-2-ol
PubChem CID114492958
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name1-(2-chloro-5-methoxyanilino)-2-methylbutan-2-ol
SMILESCCC(C)(O)CNc1cc(OC)ccc1Cl
InChIInChI=1S/C12H18ClNO2/c1-4-12(2,15)8-14-11-7-9(16-3)5-6-10(11)13/h5-7,14-15H,4,8H2,1-3H3
InChIKeyOYMKIKDWOHODLP-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-chloro-5-methoxyanilino)-2-methylbutan-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-(2-chloro-5-fluoroanilino)-2-methylbutan-2-ol
CID 107528405
2-chloro-N-[(2,5-dichlorophenyl)methyl]-5-methoxyaniline
CID 65315824
2-chloro-5-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline
CID 112588961
1-chloro-3-(2-chloro-5-methoxyanilino)propan-2-ol
CID 168636469
2-chloro-5-methoxy-N-(3-phenylprop-2-enyl)aniline
CID 76997582
2-carbamothioyl-N-(2-chloro-5-methoxyphenyl)-2-methylbutanamide
CID 114292151
N-but-3-ynyl-2-chloro-5-methoxyaniline
CID 63655270
2-chloro-N-(furan-3-ylmethyl)-5-methoxyaniline
CID 63204279
5-(2-chloro-5-methoxyanilino)pentanamide
CID 114281598
1-[(6-methoxynaphthalen-2-yl)methylamino]-2-methylbutan-2-ol
CID 63679069
4-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062149
1-(3-chloro-2-methylanilino)-2-methylbutan-2-ol
CID 114492530

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methoxyanilino)-2-methylbutan-2-ol?
The IUPAC name of 1-(2-chloro-5-methoxyanilino)-2-methylbutan-2-ol (CID 114492958) is 1-(2-chloro-5-methoxyanilino)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(2-chloro-5-methoxyanilino)-2-methylbutan-2-ol?
The canonical SMILES for 1-(2-chloro-5-methoxyanilino)-2-methylbutan-2-ol is CCC(C)(O)CNc1cc(OC)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-methoxyanilino)-2-methylbutan-2-ol?
The InChIKey is OYMKIKDWOHODLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-4-12(2,15)8-14-11-7-9(16-3)5-6-10(11)13/h5-7,14-15H,4,8H2,1-3H3.
What are the key properties of 1-(2-chloro-5-methoxyanilino)-2-methylbutan-2-ol?
1-(2-chloro-5-methoxyanilino)-2-methylbutan-2-ol has a molecular weight of 243.73 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methoxyanilino)-2-methylbutan-2-ol is sourced from PubChem (CID 114492958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).