1-(2-amino-3-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol

C15H15ClFNO2 — CID 107469320

IUPAC1-(2-amino-3-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol
SMILESCOc1cccc(C(O)Cc2ccc(F)cc2Cl)c1N
InChIInChI=1S/C15H15ClFNO2/c1-20-14-4-2-3-11(15(14)18)13(19)7-9-5-6-10(17)8-12(9)16/h2-6,8,13,19H,7,18H2,1H3
InChIKeyXHFAZGXHNJLPIW-UHFFFAOYSA-N
MW295.74 g/mol
LogP3.35
Rot. Bonds4

About 1-(2-amino-3-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol

1-(2-amino-3-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol (PubChem CID 107469320) has the molecular formula C15H15ClFNO2 and a molecular weight of 295.74 g/mol. Its IUPAC name is 1-(2-amino-3-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-amino-3-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol
PubChem CID107469320
Molecular FormulaC15H15ClFNO2
Molecular Weight295.74 g/mol
Exact Mass295.08
IUPAC Name1-(2-amino-3-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol
SMILESCOc1cccc(C(O)Cc2ccc(F)cc2Cl)c1N
InChIInChI=1S/C15H15ClFNO2/c1-20-14-4-2-3-11(15(14)18)13(19)7-9-5-6-10(17)8-12(9)16/h2-6,8,13,19H,7,18H2,1H3
InChIKeyXHFAZGXHNJLPIW-UHFFFAOYSA-N
XLogP3.35
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 53.35
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

1-(5-bromo-2-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol
CID 65145914
1-(2-amino-3-methoxyphenyl)-2-(4-chlorophenyl)ethanol
CID 107469515
2-(2-chloro-4-fluorophenyl)-1-(3-methoxyphenyl)ethanol
CID 62607563
2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 63035615
2-(4-fluoro-2-methylphenyl)-1-(2-methoxyphenyl)ethanol
CID 114346762
2-(2-chloro-4-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62607143
1-(2-amino-3-methoxyphenyl)propane-1,3-diol
CID 105450647
1-(2-amino-3-methoxyphenyl)butan-1-ol
CID 105449196
1-(5-amino-1H-pyrazol-4-yl)-2-(2-chloro-4-fluorophenyl)ethanol
CID 65361780
1-(2-amino-3-methoxyphenyl)-2-(1-benzothiophen-3-yl)ethanol
CID 107469527
1-(2-amino-3-methoxyphenyl)-4,4,4-trifluorobutan-1-ol
CID 107469294
1-(3-chloro-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 107103532

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol?
The IUPAC name of 1-(2-amino-3-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol (CID 107469320) is 1-(2-amino-3-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(2-amino-3-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol?
The canonical SMILES for 1-(2-amino-3-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol is COc1cccc(C(O)Cc2ccc(F)cc2Cl)c1N.
What is the InChIKey of 1-(2-amino-3-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol?
The InChIKey is XHFAZGXHNJLPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2/c1-20-14-4-2-3-11(15(14)18)13(19)7-9-5-6-10(17)8-12(9)16/h2-6,8,13,19H,7,18H2,1H3.
What are the key properties of 1-(2-amino-3-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol?
1-(2-amino-3-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol has a molecular weight of 295.74 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol is sourced from PubChem (CID 107469320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).