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

C15H15Cl2NO — CID 106818136

IUPAC2-(3-chloroanilino)-2-(3-chloro-4-methylphenyl)ethanol
SMILESCc1ccc(C(CO)Nc2cccc(Cl)c2)cc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-10-5-6-11(7-14(10)17)15(9-19)18-13-4-2-3-12(16)8-13/h2-8,15,18-19H,9H2,1H3
InChIKeyYGMVGRCTSRWYSR-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.45
Rot. Bonds4

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

2-(3-chloroanilino)-2-(3-chloro-4-methylphenyl)ethanol (PubChem CID 106818136) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 2-(3-chloroanilino)-2-(3-chloro-4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-chloroanilino)-2-(3-chloro-4-methylphenyl)ethanol
PubChem CID106818136
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name2-(3-chloroanilino)-2-(3-chloro-4-methylphenyl)ethanol
SMILESCc1ccc(C(CO)Nc2cccc(Cl)c2)cc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-10-5-6-11(7-14(10)17)15(9-19)18-13-4-2-3-12(16)8-13/h2-8,15,18-19H,9H2,1H3
InChIKeyYGMVGRCTSRWYSR-UHFFFAOYSA-N
XLogP4.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-methylphenyl)-2-(3-methylanilino)ethanol
CID 106818139
2-(3-chloroanilino)-2-(3-chlorophenyl)ethanol
CID 61049948
2-(3-chloroanilino)-2-(3-chloro-4-methoxyphenyl)ethanol
CID 65026318
2-(3-chloro-4-methylphenyl)-2-(4-methylanilino)ethanol
CID 106818133
2-(3-chloroanilino)-2-(4-methylsulfanylphenyl)ethanol
CID 61047746
2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)ethanol
CID 106818134
2-(3-bromophenyl)-2-(3-chloroanilino)ethanol
CID 61050345
2-(3-chloroanilino)-2-(3-propan-2-yloxyphenyl)ethanol
CID 61212830
2-(3,4-dichlorophenyl)-2-(3-methoxyanilino)ethanol
CID 61048677
2-(3-chloroanilino)-2-(4-fluoro-2-methylphenyl)ethanol
CID 55038676
2-(3-chlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79050495
2-(3-methylanilino)-2-(3-methylphenyl)ethanol
CID 61050180

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-2-(3-chloro-4-methylphenyl)ethanol?
The IUPAC name of 2-(3-chloroanilino)-2-(3-chloro-4-methylphenyl)ethanol (CID 106818136) is 2-(3-chloroanilino)-2-(3-chloro-4-methylphenyl)ethanol.
What is the SMILES notation for 2-(3-chloroanilino)-2-(3-chloro-4-methylphenyl)ethanol?
The canonical SMILES for 2-(3-chloroanilino)-2-(3-chloro-4-methylphenyl)ethanol is Cc1ccc(C(CO)Nc2cccc(Cl)c2)cc1Cl.
What is the InChIKey of 2-(3-chloroanilino)-2-(3-chloro-4-methylphenyl)ethanol?
The InChIKey is YGMVGRCTSRWYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-10-5-6-11(7-14(10)17)15(9-19)18-13-4-2-3-12(16)8-13/h2-8,15,18-19H,9H2,1H3.
What are the key properties of 2-(3-chloroanilino)-2-(3-chloro-4-methylphenyl)ethanol?
2-(3-chloroanilino)-2-(3-chloro-4-methylphenyl)ethanol has a molecular weight of 296.20 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-2-(3-chloro-4-methylphenyl)ethanol is sourced from PubChem (CID 106818136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).