2-(2-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol

C15H15ClFNO — CID 60901932

IUPAC2-(2-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol
SMILESCc1ccc(NCC(O)c2ccccc2F)c(Cl)c1
InChIInChI=1S/C15H15ClFNO/c1-10-6-7-14(12(16)8-10)18-9-15(19)11-4-2-3-5-13(11)17/h2-8,15,18-19H,9H2,1H3
InChIKeyLLKUUUIUDXVOPY-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.93
Rot. Bonds4

About 2-(2-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol

2-(2-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol (PubChem CID 60901932) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 2-(2-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol
PubChem CID60901932
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name2-(2-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol
SMILESCc1ccc(NCC(O)c2ccccc2F)c(Cl)c1
InChIInChI=1S/C15H15ClFNO/c1-10-6-7-14(12(16)8-10)18-9-15(19)11-4-2-3-5-13(11)17/h2-8,15,18-19H,9H2,1H3
InChIKeyLLKUUUIUDXVOPY-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-(2-chloro-4-methylanilino)-1-(2,6-difluorophenyl)ethanol
CID 60899627
2-(2-chloro-4-methylanilino)-1-phenylethanol
CID 55026534
2-(2-chloro-4-methylanilino)-1-(4-chlorophenyl)ethanol
CID 60724888
2-(2-chloro-5-methyl-4-nitroanilino)-1-(2-fluorophenyl)ethanol
CID 133351530
2-(3-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol
CID 60898395
2-(2,4-difluoroanilino)-1-(2-fluorophenyl)ethanol
CID 60901832
2-(4-chloro-2-fluoroanilino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 61469773
2-(2-bromo-5-chloroanilino)-1-(2-fluorophenyl)ethanol
CID 81279974
2-(4-bromo-2-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60901198
2-(4-bromo-2-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60898079
2-(5-chloro-2-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60909294
1-(2-chlorophenyl)-2-(2,3,4-trifluoroanilino)ethanol
CID 60896928

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-(2-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol (CID 60901932) is 2-(2-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-(2-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-(2-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol is Cc1ccc(NCC(O)c2ccccc2F)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol?
The InChIKey is LLKUUUIUDXVOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-10-6-7-14(12(16)8-10)18-9-15(19)11-4-2-3-5-13(11)17/h2-8,15,18-19H,9H2,1H3.
What are the key properties of 2-(2-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol?
2-(2-chloro-4-methylanilino)-1-(2-fluorophenyl)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-(2-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 60901932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).