4-fluoro-N-phenyl-N-propan-2-ylaniline

C15H16FN — CID 10998781

IUPAC4-fluoro-N-phenyl-N-propan-2-ylaniline
SMILESCC(C)N(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H16FN/c1-12(2)17(14-6-4-3-5-7-14)15-10-8-13(16)9-11-15/h3-12H,1-2H3
InChIKeyILXHLLVWQFXVPW-UHFFFAOYSA-N
MW229.30 g/mol
LogP4.37
Rot. Bonds3

About 4-fluoro-N-phenyl-N-propan-2-ylaniline

4-fluoro-N-phenyl-N-propan-2-ylaniline (PubChem CID 10998781) has the molecular formula C15H16FN and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-fluoro-N-phenyl-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-fluoro-N-phenyl-N-propan-2-ylaniline
PubChem CID10998781
Molecular FormulaC15H16FN
Molecular Weight229.30 g/mol
Exact Mass229.13
IUPAC Name4-fluoro-N-phenyl-N-propan-2-ylaniline
SMILESCC(C)N(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H16FN/c1-12(2)17(14-6-4-3-5-7-14)15-10-8-13(16)9-11-15/h3-12H,1-2H3
InChIKeyILXHLLVWQFXVPW-UHFFFAOYSA-N
XLogP4.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methylsilyl-N-phenyl-N-propan-2-ylaniline
CID 159314812
4-fluoro-N-methyl-N-phenylaniline
CID 54288754
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CID 102369575
2-(4-fluoro-N-(4-fluorophenyl)anilino)propanoic acid
CID 139511058
(2R,3R)-2-N,2-N,3-N,3-N-tetraphenylbutane-2,3-diamine
CID 139888641
4-fluoro-N-methoxy-N-phenylaniline
CID 88537361
4-phenyl-N-propan-2-yl-N-(4-trimethylsilylphenyl)aniline
CID 59308390
N-[(4-fluorophenyl)methoxy]-N-methylaniline
CID 87539349
4-ethyl-N-(4-fluorophenyl)-N-phenylaniline
CID 154721984
ethene;1-fluoro-4-(1-phenylethyl)benzene
CID 144850475
N-(4-fluorophenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 138798374
(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
CID 78956090

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-phenyl-N-propan-2-ylaniline?
The IUPAC name of 4-fluoro-N-phenyl-N-propan-2-ylaniline (CID 10998781) is 4-fluoro-N-phenyl-N-propan-2-ylaniline.
What is the SMILES notation for 4-fluoro-N-phenyl-N-propan-2-ylaniline?
The canonical SMILES for 4-fluoro-N-phenyl-N-propan-2-ylaniline is CC(C)N(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-phenyl-N-propan-2-ylaniline?
The InChIKey is ILXHLLVWQFXVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN/c1-12(2)17(14-6-4-3-5-7-14)15-10-8-13(16)9-11-15/h3-12H,1-2H3.
What are the key properties of 4-fluoro-N-phenyl-N-propan-2-ylaniline?
4-fluoro-N-phenyl-N-propan-2-ylaniline has a molecular weight of 229.30 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-phenyl-N-propan-2-ylaniline is sourced from PubChem (CID 10998781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).