1-(4-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol

C15H16FNO2 — CID 106695530

IUPAC1-(4-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
SMILESCOc1cccc(CC(O)c2ccc(N)cc2)c1F
InChIInChI=1S/C15H16FNO2/c1-19-14-4-2-3-11(15(14)16)9-13(18)10-5-7-12(17)8-6-10/h2-8,13,18H,9,17H2,1H3
InChIKeyXLBCFYVCWBLNAF-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.69
Rot. Bonds4

About 1-(4-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol

1-(4-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol (PubChem CID 106695530) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
PubChem CID106695530
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name1-(4-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
SMILESCOc1cccc(CC(O)c2ccc(N)cc2)c1F
InChIInChI=1S/C15H16FNO2/c1-19-14-4-2-3-11(15(14)16)9-13(18)10-5-7-12(17)8-6-10/h2-8,13,18H,9,17H2,1H3
InChIKeyXLBCFYVCWBLNAF-UHFFFAOYSA-N
XLogP2.69
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluoro-3-methoxyphenyl)-1-(4-methylphenyl)ethanol
CID 104793076
2-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol
CID 115832675
2-(2-fluoro-3-methoxyphenyl)-1-[3-(methoxymethyl)phenyl]ethanol
CID 104793170
2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-2-ylethanol
CID 104793572
2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol
CID 115832717
1-[4-(difluoromethyl)phenyl]-2-(2-methoxyphenyl)ethanol
CID 115524903
1,1,1-trifluoro-3-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 104793601
1-cyclopropyl-3-(2-fluoro-3-methoxyphenyl)propane-1,2-diol
CID 103456969
1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 115832698
2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanol
CID 104793687
4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine
CID 104792644
2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 116810239

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol (CID 106695530) is 1-(4-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol is COc1cccc(CC(O)c2ccc(N)cc2)c1F.
What is the InChIKey of 1-(4-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol?
The InChIKey is XLBCFYVCWBLNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-19-14-4-2-3-11(15(14)16)9-13(18)10-5-7-12(17)8-6-10/h2-8,13,18H,9,17H2,1H3.
What are the key properties of 1-(4-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol?
1-(4-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol has a molecular weight of 261.30 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol is sourced from PubChem (CID 106695530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).