2-(2-chloroanilino)-2-(2-methoxyphenyl)propan-1-ol

C16H18ClNO2 — CID 61049736

IUPAC2-(2-chloroanilino)-2-(2-methoxyphenyl)propan-1-ol
SMILESCOc1ccccc1C(C)(CO)Nc1ccccc1Cl
InChIInChI=1S/C16H18ClNO2/c1-16(11-19,12-7-3-6-10-15(12)20-2)18-14-9-5-4-8-13(14)17/h3-10,18-19H,11H2,1-2H3
InChIKeyHTRQLSXTVFFFPJ-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.67
Rot. Bonds5

About 2-(2-chloroanilino)-2-(2-methoxyphenyl)propan-1-ol

2-(2-chloroanilino)-2-(2-methoxyphenyl)propan-1-ol (PubChem CID 61049736) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-(2-chloroanilino)-2-(2-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(2-chloroanilino)-2-(2-methoxyphenyl)propan-1-ol
PubChem CID61049736
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-(2-chloroanilino)-2-(2-methoxyphenyl)propan-1-ol
SMILESCOc1ccccc1C(C)(CO)Nc1ccccc1Cl
InChIInChI=1S/C16H18ClNO2/c1-16(11-19,12-7-3-6-10-15(12)20-2)18-14-9-5-4-8-13(14)17/h3-10,18-19H,11H2,1-2H3
InChIKeyHTRQLSXTVFFFPJ-UHFFFAOYSA-N
XLogP3.67
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-chloroanilino)-2-(2-methoxyphenyl)propan-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

2-(2,5-dichlorophenyl)-2-(2-methoxyanilino)propan-1-ol
CID 61048485
2-(2-chloroanilino)-2-(4-methoxyphenyl)propan-1-ol
CID 61050529
2-(2-chloroanilino)-2-(2,5-difluorophenyl)propan-1-ol
CID 61049535
2-(4-bromoanilino)-2-(2-methoxyphenyl)propan-1-ol
CID 61049055
2-(2-chloroanilino)-2-(4-chlorophenyl)propan-1-ol
CID 61050132
4-[2-(2-chloroanilino)-1-hydroxypropan-2-yl]phenol
CID 61047734
2-(2-methoxyphenyl)-2-(propylamino)propan-1-ol
CID 61057006
2-(benzylamino)-2-(2-methoxyphenyl)propan-1-ol
CID 61044896
2-(2-chloroanilino)-2-(2,6-difluorophenyl)propan-1-ol
CID 61049935
2-(2-chloroanilino)-2-methylbutan-1-ol
CID 61047731
5-[1-hydroxy-2-(2-methoxyanilino)propan-2-yl]benzene-1,3-diol
CID 107707749
2-(2-chloroanilino)-2-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126820

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-2-(2-methoxyphenyl)propan-1-ol?
The IUPAC name of 2-(2-chloroanilino)-2-(2-methoxyphenyl)propan-1-ol (CID 61049736) is 2-(2-chloroanilino)-2-(2-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-(2-chloroanilino)-2-(2-methoxyphenyl)propan-1-ol?
The canonical SMILES for 2-(2-chloroanilino)-2-(2-methoxyphenyl)propan-1-ol is COc1ccccc1C(C)(CO)Nc1ccccc1Cl.
What is the InChIKey of 2-(2-chloroanilino)-2-(2-methoxyphenyl)propan-1-ol?
The InChIKey is HTRQLSXTVFFFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-16(11-19,12-7-3-6-10-15(12)20-2)18-14-9-5-4-8-13(14)17/h3-10,18-19H,11H2,1-2H3.
What are the key properties of 2-(2-chloroanilino)-2-(2-methoxyphenyl)propan-1-ol?
2-(2-chloroanilino)-2-(2-methoxyphenyl)propan-1-ol has a molecular weight of 291.78 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-2-(2-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 61049736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).