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

C15H15ClFNO2 — CID 65026319

IUPAC2-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)ethanol
SMILESCOc1ccc(C(CO)Nc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C15H15ClFNO2/c1-20-15-7-2-10(8-13(15)16)14(9-19)18-12-5-3-11(17)4-6-12/h2-8,14,18-19H,9H2,1H3
InChIKeyPOIUHFDHUSQGHR-UHFFFAOYSA-N
MW295.74 g/mol
LogP3.63
Rot. Bonds5

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

2-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)ethanol (PubChem CID 65026319) has the molecular formula C15H15ClFNO2 and a molecular weight of 295.74 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)ethanol.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)ethanol
PubChem CID65026319
Molecular FormulaC15H15ClFNO2
Molecular Weight295.74 g/mol
Exact Mass295.08
IUPAC Name2-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)ethanol
SMILESCOc1ccc(C(CO)Nc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C15H15ClFNO2/c1-20-15-7-2-10(8-13(15)16)14(9-19)18-12-5-3-11(17)4-6-12/h2-8,14,18-19H,9H2,1H3
InChIKeyPOIUHFDHUSQGHR-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-(3-chloroanilino)-2-(3-chloro-4-methoxyphenyl)ethanol
CID 65026318
2-(2-chloro-6-methoxyphenyl)-2-(4-fluoroanilino)ethanol
CID 104817673
2-(3-bromo-4-methoxyphenyl)-2-(4-chloroanilino)ethanol
CID 61049903
(3-chloro-4-methoxyphenyl)-(4-fluorophenyl)methanol
CID 61100698
3-chloro-N-[1-(3,4-dichlorophenyl)propyl]-4-methoxyaniline
CID 43758094
2-(3,4-dichlorophenyl)-2-(3-methoxyanilino)ethanol
CID 61048677
2-(3-chloro-4-methylphenyl)-2-(4-methylanilino)ethanol
CID 106818133
1-(3-chloro-4-methoxyphenyl)ethylazanium chloride
CID 10560966
(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol
CID 42579768
1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
CID 65376445
N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)acetamide
CID 26416543
3-(4-chloroanilino)-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-ol
CID 132591979

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)ethanol?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)ethanol (CID 65026319) is 2-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)ethanol.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)ethanol?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)ethanol is COc1ccc(C(CO)Nc2ccc(F)cc2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)ethanol?
The InChIKey is POIUHFDHUSQGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2/c1-20-15-7-2-10(8-13(15)16)14(9-19)18-12-5-3-11(17)4-6-12/h2-8,14,18-19H,9H2,1H3.
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)ethanol?
2-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)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-4-methoxyphenyl)-2-(4-fluoroanilino)ethanol is sourced from PubChem (CID 65026319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).