2-(4-fluoroanilino)-3-(4-methoxyphenyl)-2-methylpropan-1-ol

C17H20FNO2 — CID 63271193

IUPAC2-(4-fluoroanilino)-3-(4-methoxyphenyl)-2-methylpropan-1-ol
SMILESCOc1ccc(CC(C)(CO)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FNO2/c1-17(12-20,19-15-7-5-14(18)6-8-15)11-13-3-9-16(21-2)10-4-13/h3-10,19-20H,11-12H2,1-2H3
InChIKeyGPYSBBVRRCQAHF-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.24
Rot. Bonds6

About 2-(4-fluoroanilino)-3-(4-methoxyphenyl)-2-methylpropan-1-ol

2-(4-fluoroanilino)-3-(4-methoxyphenyl)-2-methylpropan-1-ol (PubChem CID 63271193) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-3-(4-methoxyphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(4-fluoroanilino)-3-(4-methoxyphenyl)-2-methylpropan-1-ol
PubChem CID63271193
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name2-(4-fluoroanilino)-3-(4-methoxyphenyl)-2-methylpropan-1-ol
SMILESCOc1ccc(CC(C)(CO)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FNO2/c1-17(12-20,19-15-7-5-14(18)6-8-15)11-13-3-9-16(21-2)10-4-13/h3-10,19-20H,11-12H2,1-2H3
InChIKeyGPYSBBVRRCQAHF-UHFFFAOYSA-N
XLogP3.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoroanilino)-2-methylbutan-1-ol
CID 61050548
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2-anilino-4-(4-methoxyphenyl)-2-methylbutan-1-ol
CID 61047503
2-(2-fluoroanilino)-3-(4-fluorophenyl)-2-methylpropan-1-ol
CID 114834228
2-(2,4-difluorophenyl)-2-(4-methoxyanilino)propan-1-ol
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2-amino-3-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 22961263
4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]aniline
CID 29054094
4-fluoro-N-[2-[(4-methoxyphenyl)methoxy]ethyl]aniline
CID 62599050
2-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 71782018
2-(4-fluorophenyl)-N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 95982951
2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 95982952
2-[(4-methoxyphenyl)methyl]-2-(methylamino)propane-1,3-diol
CID 121015626

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-3-(4-methoxyphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(4-fluoroanilino)-3-(4-methoxyphenyl)-2-methylpropan-1-ol (CID 63271193) is 2-(4-fluoroanilino)-3-(4-methoxyphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(4-fluoroanilino)-3-(4-methoxyphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(4-fluoroanilino)-3-(4-methoxyphenyl)-2-methylpropan-1-ol is COc1ccc(CC(C)(CO)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluoroanilino)-3-(4-methoxyphenyl)-2-methylpropan-1-ol?
The InChIKey is GPYSBBVRRCQAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-17(12-20,19-15-7-5-14(18)6-8-15)11-13-3-9-16(21-2)10-4-13/h3-10,19-20H,11-12H2,1-2H3.
What are the key properties of 2-(4-fluoroanilino)-3-(4-methoxyphenyl)-2-methylpropan-1-ol?
2-(4-fluoroanilino)-3-(4-methoxyphenyl)-2-methylpropan-1-ol has a molecular weight of 289.35 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-3-(4-methoxyphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 63271193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).