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

C15H15ClFNO — CID 55038676

IUPAC2-(3-chloroanilino)-2-(4-fluoro-2-methylphenyl)ethanol
SMILESCc1cc(F)ccc1C(CO)Nc1cccc(Cl)c1
InChIInChI=1S/C15H15ClFNO/c1-10-7-12(17)5-6-14(10)15(9-19)18-13-4-2-3-11(16)8-13/h2-8,15,18-19H,9H2,1H3
InChIKeyRWMPIABWXPMOJZ-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.93
Rot. Bonds4

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

2-(3-chloroanilino)-2-(4-fluoro-2-methylphenyl)ethanol (PubChem CID 55038676) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 2-(3-chloroanilino)-2-(4-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-chloroanilino)-2-(4-fluoro-2-methylphenyl)ethanol
PubChem CID55038676
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name2-(3-chloroanilino)-2-(4-fluoro-2-methylphenyl)ethanol
SMILESCc1cc(F)ccc1C(CO)Nc1cccc(Cl)c1
InChIInChI=1S/C15H15ClFNO/c1-10-7-12(17)5-6-14(10)15(9-19)18-13-4-2-3-11(16)8-13/h2-8,15,18-19H,9H2,1H3
InChIKeyRWMPIABWXPMOJZ-UHFFFAOYSA-N
XLogP3.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoro-5-methylanilino)-2-(4-fluoro-2-methylphenyl)ethanol
CID 79049542
2-(3-chloroanilino)-2-(3-chlorophenyl)ethanol
CID 61049948
2-(3-chloroanilino)-2-(3-chloro-4-methylphenyl)ethanol
CID 106818136
2-(3-chlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79050495
2-(3-chloroanilino)-2-(4-methylsulfanylphenyl)ethanol
CID 61047746
2-(3-chlorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine
CID 63412552
2-(3-fluoroanilino)-2-(2-fluorophenyl)ethanol
CID 61048110
2-(3-chloroanilino)-2-thiophen-2-ylethanol
CID 61346766
2-(2-chlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79049315
2-(2-fluorophenyl)-2-(3-methylanilino)ethanol
CID 61050184
2-(3-bromoanilino)-2-(2-methylphenyl)ethanol
CID 61048065
2-(3-bromophenyl)-2-(3-chloroanilino)ethanol
CID 61050345

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-2-(4-fluoro-2-methylphenyl)ethanol?
The IUPAC name of 2-(3-chloroanilino)-2-(4-fluoro-2-methylphenyl)ethanol (CID 55038676) is 2-(3-chloroanilino)-2-(4-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for 2-(3-chloroanilino)-2-(4-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for 2-(3-chloroanilino)-2-(4-fluoro-2-methylphenyl)ethanol is Cc1cc(F)ccc1C(CO)Nc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chloroanilino)-2-(4-fluoro-2-methylphenyl)ethanol?
The InChIKey is RWMPIABWXPMOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-10-7-12(17)5-6-14(10)15(9-19)18-13-4-2-3-11(16)8-13/h2-8,15,18-19H,9H2,1H3.
What are the key properties of 2-(3-chloroanilino)-2-(4-fluoro-2-methylphenyl)ethanol?
2-(3-chloroanilino)-2-(4-fluoro-2-methylphenyl)ethanol has a molecular weight of 279.74 g/mol, XLogP of 3.93, 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-(4-fluoro-2-methylphenyl)ethanol is sourced from PubChem (CID 55038676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).