2-(3-fluorophenyl)-2-(3-methoxyanilino)butan-1-ol

C17H20FNO2 — CID 114872860

IUPAC2-(3-fluorophenyl)-2-(3-methoxyanilino)butan-1-ol
SMILESCCC(CO)(Nc1cccc(OC)c1)c1cccc(F)c1
InChIInChI=1S/C17H20FNO2/c1-3-17(12-20,13-6-4-7-14(18)10-13)19-15-8-5-9-16(11-15)21-2/h4-11,19-20H,3,12H2,1-2H3
InChIKeyALNQNOFIZZDXMQ-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.54
Rot. Bonds6

About 2-(3-fluorophenyl)-2-(3-methoxyanilino)butan-1-ol

2-(3-fluorophenyl)-2-(3-methoxyanilino)butan-1-ol (PubChem CID 114872860) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-(3-methoxyanilino)butan-1-ol.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-(3-methoxyanilino)butan-1-ol
PubChem CID114872860
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name2-(3-fluorophenyl)-2-(3-methoxyanilino)butan-1-ol
SMILESCCC(CO)(Nc1cccc(OC)c1)c1cccc(F)c1
InChIInChI=1S/C17H20FNO2/c1-3-17(12-20,13-6-4-7-14(18)10-13)19-15-8-5-9-16(11-15)21-2/h4-11,19-20H,3,12H2,1-2H3
InChIKeyALNQNOFIZZDXMQ-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-fluorophenyl)-2-(3-methoxyanilino)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-fluoroanilino)-2-phenylbutan-1-ol
CID 61048101
2-(4-chlorophenyl)-2-(3-methoxyanilino)butan-1-ol
CID 61049075
2-(4-methoxyanilino)-2-phenylbutan-1-ol
CID 61045130
2-(3-fluorophenyl)-2-[(3-methoxyphenyl)methyl]propane-1,3-diol
CID 79445073
2-(cycloheptylamino)-2-(3-fluorophenyl)butan-1-ol
CID 114872869
2-(3-chlorophenyl)-2-(3-fluoro-5-methylanilino)butan-1-ol
CID 79046383
N-(3-fluorophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969376
2-[2-(3-fluorophenyl)-2-methylpropyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111816381
4-methoxy-2-(3-methoxyanilino)-2,4-dimethylpentan-1-ol
CID 61050466
2-(3-methoxyanilino)-2-methylheptan-1-ol
CID 80558936
2-(3-fluorophenyl)-2-(oxolan-2-ylmethylamino)butan-1-ol
CID 114872852
2-ethyl-2-(3-methoxyanilino)-3-methylbutanenitrile
CID 54886890

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-(3-methoxyanilino)butan-1-ol?
The IUPAC name of 2-(3-fluorophenyl)-2-(3-methoxyanilino)butan-1-ol (CID 114872860) is 2-(3-fluorophenyl)-2-(3-methoxyanilino)butan-1-ol.
What is the SMILES notation for 2-(3-fluorophenyl)-2-(3-methoxyanilino)butan-1-ol?
The canonical SMILES for 2-(3-fluorophenyl)-2-(3-methoxyanilino)butan-1-ol is CCC(CO)(Nc1cccc(OC)c1)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-2-(3-methoxyanilino)butan-1-ol?
The InChIKey is ALNQNOFIZZDXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-3-17(12-20,13-6-4-7-14(18)10-13)19-15-8-5-9-16(11-15)21-2/h4-11,19-20H,3,12H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-2-(3-methoxyanilino)butan-1-ol?
2-(3-fluorophenyl)-2-(3-methoxyanilino)butan-1-ol has a molecular weight of 289.35 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-(3-methoxyanilino)butan-1-ol is sourced from PubChem (CID 114872860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).