3-(4-fluorophenyl)-4-(4-methylphenyl)aniline

C19H16FN — CID 157225237

IUPAC3-(4-fluorophenyl)-4-(4-methylphenyl)aniline
SMILESCc1ccc(-c2ccc(N)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H16FN/c1-13-2-4-14(5-3-13)18-11-10-17(21)12-19(18)15-6-8-16(20)9-7-15/h2-12H,21H2,1H3
InChIKeyATLPLRICLGCATF-UHFFFAOYSA-N
MW277.34 g/mol
LogP5.05
Rot. Bonds2

About 3-(4-fluorophenyl)-4-(4-methylphenyl)aniline

3-(4-fluorophenyl)-4-(4-methylphenyl)aniline (PubChem CID 157225237) has the molecular formula C19H16FN and a molecular weight of 277.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-(4-methylphenyl)aniline.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-(4-methylphenyl)aniline
PubChem CID157225237
Molecular FormulaC19H16FN
Molecular Weight277.34 g/mol
Exact Mass277.13
IUPAC Name3-(4-fluorophenyl)-4-(4-methylphenyl)aniline
SMILESCc1ccc(-c2ccc(N)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H16FN/c1-13-2-4-14(5-3-13)18-11-10-17(21)12-19(18)15-6-8-16(20)9-7-15/h2-12H,21H2,1H3
InChIKeyATLPLRICLGCATF-UHFFFAOYSA-N
XLogP5.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.34
LogP ≤ 55.05
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

4,5-bis(4-fluorophenyl)benzene-1,2-diamine
CID 135324537
4-(4-fluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 166464293
4-amino-2-(4-methylphenyl)phenol
CID 22256169
4-amino-2-(4-methylphenyl)phenol;hydrochloride
CID 22706619
4-(2-chloro-4-fluorophenyl)aniline
CID 115504877
3-fluoro-4-(2-fluoro-4-methylphenyl)aniline
CID 90222645
4-(4-fluorophenyl)-2-iodo-1-(4-methylphenyl)benzene
CID 144502966
5-fluoro-2-(4-fluorophenyl)aniline
CID 46312178
methyl 4-amino-2-(4-fluorophenyl)benzoate
CID 18476027
1-fluoro-4-methylbenzene;methane
CID 158431518
chromium;1-fluoro-4-methylbenzene
CID 139244082
3-(2,4-dimethylphenyl)-4-fluoroaniline
CID 104781174

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-(4-methylphenyl)aniline?
The IUPAC name of 3-(4-fluorophenyl)-4-(4-methylphenyl)aniline (CID 157225237) is 3-(4-fluorophenyl)-4-(4-methylphenyl)aniline.
What is the SMILES notation for 3-(4-fluorophenyl)-4-(4-methylphenyl)aniline?
The canonical SMILES for 3-(4-fluorophenyl)-4-(4-methylphenyl)aniline is Cc1ccc(-c2ccc(N)cc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-(4-methylphenyl)aniline?
The InChIKey is ATLPLRICLGCATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN/c1-13-2-4-14(5-3-13)18-11-10-17(21)12-19(18)15-6-8-16(20)9-7-15/h2-12H,21H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-4-(4-methylphenyl)aniline?
3-(4-fluorophenyl)-4-(4-methylphenyl)aniline has a molecular weight of 277.34 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-(4-methylphenyl)aniline is sourced from PubChem (CID 157225237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).