2-(3-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol

C16H18ClNO2 — CID 60897559

IUPAC2-(3-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1C(O)CNc1cccc(Cl)c1
InChIInChI=1S/C16H18ClNO2/c1-11-6-7-16(20-2)14(8-11)15(19)10-18-13-5-3-4-12(17)9-13/h3-9,15,18-19H,10H2,1-2H3
InChIKeyFQXYZNFOOMYLBP-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.80
Rot. Bonds5

About 2-(3-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol

2-(3-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol (PubChem CID 60897559) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-(3-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol
PubChem CID60897559
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-(3-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1C(O)CNc1cccc(Cl)c1
InChIInChI=1S/C16H18ClNO2/c1-11-6-7-16(20-2)14(8-11)15(19)10-18-13-5-3-4-12(17)9-13/h3-9,15,18-19H,10H2,1-2H3
InChIKeyFQXYZNFOOMYLBP-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol 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-(3-ethynylanilino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60902936
2-(4-chloro-2-fluoroanilino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 61469773
2-(2-chloro-6-methylanilino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 66252932
1-(2-methoxy-5-methylphenyl)-2-(2-methylanilino)ethanol
CID 60900549
3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408545
2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60901325
2-(4-bromo-2-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60901198
2-(4-chlorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 61081695
1-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-2-methylpropan-2-ol
CID 65106127
methyl 4-hydroxy-4-(2-methoxy-5-methylphenyl)butanoate
CID 82347001
2-(benzylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60896859
(2R)-1-(3-chloroanilino)propan-2-ol
CID 39237835

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol?
The IUPAC name of 2-(3-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol (CID 60897559) is 2-(3-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol.
What is the SMILES notation for 2-(3-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol?
The canonical SMILES for 2-(3-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol is COc1ccc(C)cc1C(O)CNc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol?
The InChIKey is FQXYZNFOOMYLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-11-6-7-16(20-2)14(8-11)15(19)10-18-13-5-3-4-12(17)9-13/h3-9,15,18-19H,10H2,1-2H3.
What are the key properties of 2-(3-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol?
2-(3-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol has a molecular weight of 291.78 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol is sourced from PubChem (CID 60897559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).