2-(3-chloro-4-methylanilino)-1-(2,4-difluorophenyl)ethanol

C15H14ClF2NO — CID 60898778

IUPAC2-(3-chloro-4-methylanilino)-1-(2,4-difluorophenyl)ethanol
SMILESCc1ccc(NCC(O)c2ccc(F)cc2F)cc1Cl
InChIInChI=1S/C15H14ClF2NO/c1-9-2-4-11(7-13(9)16)19-8-15(20)12-5-3-10(17)6-14(12)18/h2-7,15,19-20H,8H2,1H3
InChIKeyYWBHHJFKTMQDDD-UHFFFAOYSA-N
MW297.73 g/mol
LogP4.07
Rot. Bonds4

About 2-(3-chloro-4-methylanilino)-1-(2,4-difluorophenyl)ethanol

2-(3-chloro-4-methylanilino)-1-(2,4-difluorophenyl)ethanol (PubChem CID 60898778) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 2-(3-chloro-4-methylanilino)-1-(2,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-4-methylanilino)-1-(2,4-difluorophenyl)ethanol
PubChem CID60898778
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name2-(3-chloro-4-methylanilino)-1-(2,4-difluorophenyl)ethanol
SMILESCc1ccc(NCC(O)c2ccc(F)cc2F)cc1Cl
InChIInChI=1S/C15H14ClF2NO/c1-9-2-4-11(7-13(9)16)19-8-15(20)12-5-3-10(17)6-14(12)18/h2-7,15,19-20H,8H2,1H3
InChIKeyYWBHHJFKTMQDDD-UHFFFAOYSA-N
XLogP4.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol
CID 60898395
2-(3-chloro-4-methylanilino)-1-(3-fluorophenyl)ethanol
CID 60898780
2-(4-bromo-3-fluoroanilino)-1-(2,4-difluorophenyl)ethanol
CID 65437921
1-(2,5-dichlorophenyl)-2-(3-fluoro-4-methylanilino)ethanol
CID 60901653
2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol
CID 60900936
2-(4-bromo-3-chloroanilino)-1-(2,5-difluorophenyl)ethanol
CID 107619841
2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,4-difluorophenyl)ethanol
CID 107591968
1-(3-chloro-4-methylphenyl)-3-[(1R)-1-(2,4-difluorophenyl)ethyl]thiourea
CID 8678334
2-(2-bromo-3-chloroanilino)-1-(2,4-difluorophenyl)ethanol
CID 103478900
2-(1,3-benzothiazol-6-ylamino)-1-(2,4-difluorophenyl)ethanol
CID 107804707
2-(3-bromo-4-methylanilino)-1-(2-fluorophenyl)ethanol
CID 63333952
2-(3,4-dimethylanilino)-1-(4-fluorophenyl)ethanol
CID 60720002

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylanilino)-1-(2,4-difluorophenyl)ethanol?
The IUPAC name of 2-(3-chloro-4-methylanilino)-1-(2,4-difluorophenyl)ethanol (CID 60898778) is 2-(3-chloro-4-methylanilino)-1-(2,4-difluorophenyl)ethanol.
What is the SMILES notation for 2-(3-chloro-4-methylanilino)-1-(2,4-difluorophenyl)ethanol?
The canonical SMILES for 2-(3-chloro-4-methylanilino)-1-(2,4-difluorophenyl)ethanol is Cc1ccc(NCC(O)c2ccc(F)cc2F)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylanilino)-1-(2,4-difluorophenyl)ethanol?
The InChIKey is YWBHHJFKTMQDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c1-9-2-4-11(7-13(9)16)19-8-15(20)12-5-3-10(17)6-14(12)18/h2-7,15,19-20H,8H2,1H3.
What are the key properties of 2-(3-chloro-4-methylanilino)-1-(2,4-difluorophenyl)ethanol?
2-(3-chloro-4-methylanilino)-1-(2,4-difluorophenyl)ethanol has a molecular weight of 297.73 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylanilino)-1-(2,4-difluorophenyl)ethanol is sourced from PubChem (CID 60898778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).