2-(3-fluoroanilino)-2-phenylbutan-1-ol

C16H18FNO — CID 61048101

IUPAC2-(3-fluoroanilino)-2-phenylbutan-1-ol
SMILESCCC(CO)(Nc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C16H18FNO/c1-2-16(12-19,13-7-4-3-5-8-13)18-15-10-6-9-14(17)11-15/h3-11,18-19H,2,12H2,1H3
InChIKeyHLNSCKKIBFAFPV-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.54
Rot. Bonds5

About 2-(3-fluoroanilino)-2-phenylbutan-1-ol

2-(3-fluoroanilino)-2-phenylbutan-1-ol (PubChem CID 61048101) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-(3-fluoroanilino)-2-phenylbutan-1-ol
PubChem CID61048101
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-(3-fluoroanilino)-2-phenylbutan-1-ol
SMILESCCC(CO)(Nc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C16H18FNO/c1-2-16(12-19,13-7-4-3-5-8-13)18-15-10-6-9-14(17)11-15/h3-11,18-19H,2,12H2,1H3
InChIKeyHLNSCKKIBFAFPV-UHFFFAOYSA-N
XLogP3.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-2-(3-methoxyanilino)butan-1-ol
CID 114872860
2-(3-chlorophenyl)-2-(3-fluoro-5-methylanilino)butan-1-ol
CID 79046383
2-(4-methoxyanilino)-2-phenylbutan-1-ol
CID 61045130
2-ethyl-2-(3-fluoroanilino)butanoic acid
CID 60993028
2-(2-bromoanilino)-2-(4-fluorophenyl)butan-1-ol
CID 61050041
2-(4-chlorophenyl)-2-(3-methoxyanilino)butan-1-ol
CID 61049075
2-(cycloheptylamino)-2-(3-fluorophenyl)butan-1-ol
CID 114872869
1-[(2S)-1-hydroxy-2-phenylbutan-2-yl]-3-phenylurea
CID 95318710
2-(3,4-dimethylphenyl)-2-(3-fluoroanilino)propan-1-ol
CID 61047714
2-(4-bromophenyl)-2-(3-fluoroanilino)propan-1-ol
CID 61048694
2-(3-bromoanilino)-2-(3-fluorophenyl)propan-1-ol
CID 61048867
2-(3-fluoroanilino)-2,4-dimethylpentan-1-ol
CID 61048497

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-2-phenylbutan-1-ol?
The IUPAC name of 2-(3-fluoroanilino)-2-phenylbutan-1-ol (CID 61048101) is 2-(3-fluoroanilino)-2-phenylbutan-1-ol.
What is the SMILES notation for 2-(3-fluoroanilino)-2-phenylbutan-1-ol?
The canonical SMILES for 2-(3-fluoroanilino)-2-phenylbutan-1-ol is CCC(CO)(Nc1cccc(F)c1)c1ccccc1.
What is the InChIKey of 2-(3-fluoroanilino)-2-phenylbutan-1-ol?
The InChIKey is HLNSCKKIBFAFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-2-16(12-19,13-7-4-3-5-8-13)18-15-10-6-9-14(17)11-15/h3-11,18-19H,2,12H2,1H3.
What are the key properties of 2-(3-fluoroanilino)-2-phenylbutan-1-ol?
2-(3-fluoroanilino)-2-phenylbutan-1-ol has a molecular weight of 259.32 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)-2-phenylbutan-1-ol is sourced from PubChem (CID 61048101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).