2-(3-chloro-5-fluoroanilino)-1-(4-methoxyphenyl)ethanol

C15H15ClFNO2 — CID 107365116

IUPAC2-(3-chloro-5-fluoroanilino)-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CNc2cc(F)cc(Cl)c2)cc1
InChIInChI=1S/C15H15ClFNO2/c1-20-14-4-2-10(3-5-14)15(19)9-18-13-7-11(16)6-12(17)8-13/h2-8,15,18-19H,9H2,1H3
InChIKeyAHKYXWNXUWVKTR-UHFFFAOYSA-N
MW295.74 g/mol
LogP3.63
Rot. Bonds5

About 2-(3-chloro-5-fluoroanilino)-1-(4-methoxyphenyl)ethanol

2-(3-chloro-5-fluoroanilino)-1-(4-methoxyphenyl)ethanol (PubChem CID 107365116) has the molecular formula C15H15ClFNO2 and a molecular weight of 295.74 g/mol. Its IUPAC name is 2-(3-chloro-5-fluoroanilino)-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-5-fluoroanilino)-1-(4-methoxyphenyl)ethanol
PubChem CID107365116
Molecular FormulaC15H15ClFNO2
Molecular Weight295.74 g/mol
Exact Mass295.08
IUPAC Name2-(3-chloro-5-fluoroanilino)-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CNc2cc(F)cc(Cl)c2)cc1
InChIInChI=1S/C15H15ClFNO2/c1-20-14-4-2-10(3-5-14)15(19)9-18-13-7-11(16)6-12(17)8-13/h2-8,15,18-19H,9H2,1H3
InChIKeyAHKYXWNXUWVKTR-UHFFFAOYSA-N
XLogP3.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol
CID 60901393
3-chloro-N-(2,2-dimethoxyethyl)-5-fluoroaniline
CID 107364290
2-(3-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 107365115
2-(2,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol
CID 60900221
2-(4-ethylanilino)-1-(4-methoxyphenyl)ethanol
CID 60901649
2-(3-bromoanilino)-1-(4-methoxyphenyl)ethanol
CID 60898183
2-(2-chloro-5-methylanilino)-1-(4-methoxyphenyl)ethanol
CID 107634665
3-chloro-N-[(2,5-dimethoxyphenyl)methyl]-5-fluoroaniline
CID 103818380
1-(4-chlorophenyl)-2-(4-propan-2-yloxyanilino)ethanol
CID 60902136
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(4-methoxyphenyl)ethanol
CID 81356620
3-chloro-5-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
CID 107364132
2-(3,5-difluorophenoxy)-1-(4-methoxyphenyl)ethanol
CID 62783768

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluoroanilino)-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-(3-chloro-5-fluoroanilino)-1-(4-methoxyphenyl)ethanol (CID 107365116) is 2-(3-chloro-5-fluoroanilino)-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(3-chloro-5-fluoroanilino)-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-(3-chloro-5-fluoroanilino)-1-(4-methoxyphenyl)ethanol is COc1ccc(C(O)CNc2cc(F)cc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chloro-5-fluoroanilino)-1-(4-methoxyphenyl)ethanol?
The InChIKey is AHKYXWNXUWVKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2/c1-20-14-4-2-10(3-5-14)15(19)9-18-13-7-11(16)6-12(17)8-13/h2-8,15,18-19H,9H2,1H3.
What are the key properties of 2-(3-chloro-5-fluoroanilino)-1-(4-methoxyphenyl)ethanol?
2-(3-chloro-5-fluoroanilino)-1-(4-methoxyphenyl)ethanol has a molecular weight of 295.74 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluoroanilino)-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 107365116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).