2-(3-chloroanilino)-2-(3-chloro-4-methoxyphenyl)ethanol

C15H15Cl2NO2 — CID 65026318

IUPAC2-(3-chloroanilino)-2-(3-chloro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(CO)Nc2cccc(Cl)c2)cc1Cl
InChIInChI=1S/C15H15Cl2NO2/c1-20-15-6-5-10(7-13(15)17)14(9-19)18-12-4-2-3-11(16)8-12/h2-8,14,18-19H,9H2,1H3
InChIKeyLKPVEFXZKMJISR-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.15
Rot. Bonds5

About 2-(3-chloroanilino)-2-(3-chloro-4-methoxyphenyl)ethanol

2-(3-chloroanilino)-2-(3-chloro-4-methoxyphenyl)ethanol (PubChem CID 65026318) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is 2-(3-chloroanilino)-2-(3-chloro-4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(3-chloroanilino)-2-(3-chloro-4-methoxyphenyl)ethanol
PubChem CID65026318
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC Name2-(3-chloroanilino)-2-(3-chloro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(CO)Nc2cccc(Cl)c2)cc1Cl
InChIInChI=1S/C15H15Cl2NO2/c1-20-15-6-5-10(7-13(15)17)14(9-19)18-12-4-2-3-11(16)8-12/h2-8,14,18-19H,9H2,1H3
InChIKeyLKPVEFXZKMJISR-UHFFFAOYSA-N
XLogP4.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloroanilino)-2-(3-chloro-4-methylphenyl)ethanol
CID 106818136
2-(3-chloroanilino)-2-(3-chlorophenyl)ethanol
CID 61049948
2-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)ethanol
CID 65026319
2-(3,4-dichlorophenyl)-2-(3-methoxyanilino)ethanol
CID 61048677
2-(3-chloroanilino)-2-(3-chloro-4-methoxyphenyl)acetamide
CID 65027018
2-(3-chloroanilino)-2-(3-propan-2-yloxyphenyl)ethanol
CID 61212830
2-(4-methoxy-3-methylphenyl)-2-(3-methylanilino)ethanol
CID 62131550
2-(3-chloroanilino)-2-(4-methylsulfanylphenyl)ethanol
CID 61047746
2-(3-bromoanilino)-2-(3-bromo-4-methoxyphenyl)ethanol
CID 61048471
2-(3-bromophenyl)-2-(3-chloroanilino)ethanol
CID 61050345
5-[1-(3-chlorophenyl)propylamino]-2-methoxyphenol
CID 43743809
3-(3-chloroanilino)-3-(3,4-dimethoxyphenyl)-1-phenylpropan-1-one
CID 132592112

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-2-(3-chloro-4-methoxyphenyl)ethanol?
The IUPAC name of 2-(3-chloroanilino)-2-(3-chloro-4-methoxyphenyl)ethanol (CID 65026318) is 2-(3-chloroanilino)-2-(3-chloro-4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(3-chloroanilino)-2-(3-chloro-4-methoxyphenyl)ethanol?
The canonical SMILES for 2-(3-chloroanilino)-2-(3-chloro-4-methoxyphenyl)ethanol is COc1ccc(C(CO)Nc2cccc(Cl)c2)cc1Cl.
What is the InChIKey of 2-(3-chloroanilino)-2-(3-chloro-4-methoxyphenyl)ethanol?
The InChIKey is LKPVEFXZKMJISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c1-20-15-6-5-10(7-13(15)17)14(9-19)18-12-4-2-3-11(16)8-12/h2-8,14,18-19H,9H2,1H3.
What are the key properties of 2-(3-chloroanilino)-2-(3-chloro-4-methoxyphenyl)ethanol?
2-(3-chloroanilino)-2-(3-chloro-4-methoxyphenyl)ethanol has a molecular weight of 312.20 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-2-(3-chloro-4-methoxyphenyl)ethanol is sourced from PubChem (CID 65026318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).