4-fluoro-2-(4-propylphenyl)aniline

C15H16FN — CID 55110546

IUPAC4-fluoro-2-(4-propylphenyl)aniline
SMILESCCCc1ccc(-c2cc(F)ccc2N)cc1
InChIInChI=1S/C15H16FN/c1-2-3-11-4-6-12(7-5-11)14-10-13(16)8-9-15(14)17/h4-10H,2-3,17H2,1H3
InChIKeyBISKLUVHSXRRRS-UHFFFAOYSA-N
MW229.30 g/mol
LogP4.03
Rot. Bonds3

About 4-fluoro-2-(4-propylphenyl)aniline

4-fluoro-2-(4-propylphenyl)aniline (PubChem CID 55110546) has the molecular formula C15H16FN and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-fluoro-2-(4-propylphenyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-(4-propylphenyl)aniline
PubChem CID55110546
Molecular FormulaC15H16FN
Molecular Weight229.30 g/mol
Exact Mass229.13
IUPAC Name4-fluoro-2-(4-propylphenyl)aniline
SMILESCCCc1ccc(-c2cc(F)ccc2N)cc1
InChIInChI=1S/C15H16FN/c1-2-3-11-4-6-12(7-5-11)14-10-13(16)8-9-15(14)17/h4-10H,2-3,17H2,1H3
InChIKeyBISKLUVHSXRRRS-UHFFFAOYSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 54.03
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

2-(4-butylphenyl)benzene-1,4-diamine;dihydrochloride
CID 18371792
1-fluoro-4-propylbenzene
CID 2737505
1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene
CID 71422219
4-fluoro-2-[(4-propylphenoxy)methyl]aniline
CID 62548026
5-methyl-2-(4-propylphenyl)aniline
CID 82766529
2,4-difluoro-1-(4-octylphenyl)benzene
CID 56633566
4-fluoro-2-propylaniline
CID 23348947
2-(4-butylphenyl)-4-fluoro-1-(2-fluorophenyl)benzene
CID 67866294
2,4-difluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]benzene
CID 165362771
2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene
CID 14495749
4-amino-3-(4-ethylphenyl)phenol
CID 172675036
1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 161123973

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(4-propylphenyl)aniline?
The IUPAC name of 4-fluoro-2-(4-propylphenyl)aniline (CID 55110546) is 4-fluoro-2-(4-propylphenyl)aniline.
What is the SMILES notation for 4-fluoro-2-(4-propylphenyl)aniline?
The canonical SMILES for 4-fluoro-2-(4-propylphenyl)aniline is CCCc1ccc(-c2cc(F)ccc2N)cc1.
What is the InChIKey of 4-fluoro-2-(4-propylphenyl)aniline?
The InChIKey is BISKLUVHSXRRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN/c1-2-3-11-4-6-12(7-5-11)14-10-13(16)8-9-15(14)17/h4-10H,2-3,17H2,1H3.
What are the key properties of 4-fluoro-2-(4-propylphenyl)aniline?
4-fluoro-2-(4-propylphenyl)aniline has a molecular weight of 229.30 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(4-propylphenyl)aniline is sourced from PubChem (CID 55110546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).