3-(4-benzylphenyl)-4-fluoroaniline

C19H16FN — CID 104781281

IUPAC3-(4-benzylphenyl)-4-fluoroaniline
SMILESNc1ccc(F)c(-c2ccc(Cc3ccccc3)cc2)c1
InChIInChI=1S/C19H16FN/c20-19-11-10-17(21)13-18(19)16-8-6-15(7-9-16)12-14-4-2-1-3-5-14/h1-11,13H,12,21H2
InChIKeyQGDBIQKEKSOHSR-UHFFFAOYSA-N
MW277.34 g/mol
LogP4.67
Rot. Bonds3

About 3-(4-benzylphenyl)-4-fluoroaniline

3-(4-benzylphenyl)-4-fluoroaniline (PubChem CID 104781281) has the molecular formula C19H16FN and a molecular weight of 277.34 g/mol. Its IUPAC name is 3-(4-benzylphenyl)-4-fluoroaniline.

Molecular Properties

Compound Name3-(4-benzylphenyl)-4-fluoroaniline
PubChem CID104781281
Molecular FormulaC19H16FN
Molecular Weight277.34 g/mol
Exact Mass277.13
IUPAC Name3-(4-benzylphenyl)-4-fluoroaniline
SMILESNc1ccc(F)c(-c2ccc(Cc3ccccc3)cc2)c1
InChIInChI=1S/C19H16FN/c20-19-11-10-17(21)13-18(19)16-8-6-15(7-9-16)12-14-4-2-1-3-5-14/h1-11,13H,12,21H2
InChIKeyQGDBIQKEKSOHSR-UHFFFAOYSA-N
XLogP4.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-3-(4-phenoxyphenyl)aniline
CID 104781257
3-(3,4-difluorophenyl)-4-fluoroaniline
CID 104781175
4-benzyl-2-(3-chloro-4-fluorophenyl)aniline
CID 19381138
3-[4-(dimethylamino)phenyl]-4-fluoroaniline
CID 104781143
6-benzyl-9,9-dimethylfluoren-3-amine
CID 129301138
1,4-bis(4-benzylphenyl)benzene
CID 58251041
4-fluoro-3-(3-fluorophenyl)aniline
CID 46312186
4-fluoro-3-[4-(trifluoromethoxy)phenyl]aniline
CID 112694313
4-(4-aminophenyl)aniline;4-[(4-aminophenyl)methyl]aniline
CID 22262965
aniline;1-benzyl-4-methylbenzene;1,4-xylene
CID 158888282
3-[[4-(2-aminoethyl)phenyl]methyl]aniline
CID 142409783
4-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 39243567

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylphenyl)-4-fluoroaniline?
The IUPAC name of 3-(4-benzylphenyl)-4-fluoroaniline (CID 104781281) is 3-(4-benzylphenyl)-4-fluoroaniline.
What is the SMILES notation for 3-(4-benzylphenyl)-4-fluoroaniline?
The canonical SMILES for 3-(4-benzylphenyl)-4-fluoroaniline is Nc1ccc(F)c(-c2ccc(Cc3ccccc3)cc2)c1.
What is the InChIKey of 3-(4-benzylphenyl)-4-fluoroaniline?
The InChIKey is QGDBIQKEKSOHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN/c20-19-11-10-17(21)13-18(19)16-8-6-15(7-9-16)12-14-4-2-1-3-5-14/h1-11,13H,12,21H2.
What are the key properties of 3-(4-benzylphenyl)-4-fluoroaniline?
3-(4-benzylphenyl)-4-fluoroaniline has a molecular weight of 277.34 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylphenyl)-4-fluoroaniline is sourced from PubChem (CID 104781281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).