3-(4-fluoroanilino)-1-naphthalen-2-yl-3-phenylpropan-1-ol

C25H22FNO — CID 132592638

IUPAC3-(4-fluoroanilino)-1-naphthalen-2-yl-3-phenylpropan-1-ol
SMILESOC(CC(Nc1ccc(F)cc1)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C25H22FNO/c26-22-12-14-23(15-13-22)27-24(19-7-2-1-3-8-19)17-25(28)21-11-10-18-6-4-5-9-20(18)16-21/h1-16,24-25,27-28H,17H2
InChIKeyYWTUSQYLLRQBEC-UHFFFAOYSA-N
MW371.46 g/mol
LogP6.26
Rot. Bonds6

About 3-(4-fluoroanilino)-1-naphthalen-2-yl-3-phenylpropan-1-ol

3-(4-fluoroanilino)-1-naphthalen-2-yl-3-phenylpropan-1-ol (PubChem CID 132592638) has the molecular formula C25H22FNO and a molecular weight of 371.46 g/mol. Its IUPAC name is 3-(4-fluoroanilino)-1-naphthalen-2-yl-3-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(4-fluoroanilino)-1-naphthalen-2-yl-3-phenylpropan-1-ol
PubChem CID132592638
Molecular FormulaC25H22FNO
Molecular Weight371.46 g/mol
Exact Mass371.17
IUPAC Name3-(4-fluoroanilino)-1-naphthalen-2-yl-3-phenylpropan-1-ol
SMILESOC(CC(Nc1ccc(F)cc1)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C25H22FNO/c26-22-12-14-23(15-13-22)27-24(19-7-2-1-3-8-19)17-25(28)21-11-10-18-6-4-5-9-20(18)16-21/h1-16,24-25,27-28H,17H2
InChIKeyYWTUSQYLLRQBEC-UHFFFAOYSA-N
XLogP6.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.46
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-ol
CID 132591942
3-(4-bromoanilino)-3-(4-bromophenyl)-1-(4-fluorophenyl)propan-1-ol
CID 132591949
3-(4-methoxyphenyl)-1-naphthalen-2-yl-3-(4-nitroanilino)propan-1-ol
CID 132592679
3-(4-bromoanilino)-3-(4-bromophenyl)-1-phenylpropan-1-ol
CID 132593927
1-(4-bromophenyl)-3-(4-fluoroanilino)-3-(4-propan-2-ylphenyl)propan-1-ol
CID 132592767
(1S,3R)-3-(4-chloroanilino)-1,3-diphenylpropan-1-ol
CID 129396698
3-(4-bromophenyl)-1-(4-chlorophenyl)-3-(4-fluoroanilino)propan-1-ol
CID 132590804
3-(4-chloroanilino)-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-ol
CID 132591979
3-(4-bromoanilino)-3-(4-chlorophenyl)-1-phenylpropan-1-ol
CID 132593923
3-methyl-1-naphthalen-2-ylbutan-1-ol
CID 62717256
1-(4-methoxyphenyl)-3-(4-nitroanilino)-3-phenylpropan-1-ol
CID 132591699
1-(4-chlorophenyl)-3-(4-ethylanilino)-3-phenylpropan-1-ol
CID 132590791

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoroanilino)-1-naphthalen-2-yl-3-phenylpropan-1-ol?
The IUPAC name of 3-(4-fluoroanilino)-1-naphthalen-2-yl-3-phenylpropan-1-ol (CID 132592638) is 3-(4-fluoroanilino)-1-naphthalen-2-yl-3-phenylpropan-1-ol.
What is the SMILES notation for 3-(4-fluoroanilino)-1-naphthalen-2-yl-3-phenylpropan-1-ol?
The canonical SMILES for 3-(4-fluoroanilino)-1-naphthalen-2-yl-3-phenylpropan-1-ol is OC(CC(Nc1ccc(F)cc1)c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of 3-(4-fluoroanilino)-1-naphthalen-2-yl-3-phenylpropan-1-ol?
The InChIKey is YWTUSQYLLRQBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FNO/c26-22-12-14-23(15-13-22)27-24(19-7-2-1-3-8-19)17-25(28)21-11-10-18-6-4-5-9-20(18)16-21/h1-16,24-25,27-28H,17H2.
What are the key properties of 3-(4-fluoroanilino)-1-naphthalen-2-yl-3-phenylpropan-1-ol?
3-(4-fluoroanilino)-1-naphthalen-2-yl-3-phenylpropan-1-ol has a molecular weight of 371.46 g/mol, XLogP of 6.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoroanilino)-1-naphthalen-2-yl-3-phenylpropan-1-ol is sourced from PubChem (CID 132592638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).