4-fluoro-N-methyl-N-phenylaniline

C13H12FN — CID 54288754

IUPAC4-fluoro-N-methyl-N-phenylaniline
SMILESCN(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C13H12FN/c1-15(12-5-3-2-4-6-12)13-9-7-11(14)8-10-13/h2-10H,1H3
InChIKeyRWAFDZUBPNFOTL-UHFFFAOYSA-N
MW201.24 g/mol
LogP3.59
Rot. Bonds2

About 4-fluoro-N-methyl-N-phenylaniline

4-fluoro-N-methyl-N-phenylaniline (PubChem CID 54288754) has the molecular formula C13H12FN and a molecular weight of 201.24 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-phenylaniline.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-phenylaniline
PubChem CID54288754
Molecular FormulaC13H12FN
Molecular Weight201.24 g/mol
Exact Mass201.10
IUPAC Name4-fluoro-N-methyl-N-phenylaniline
SMILESCN(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C13H12FN/c1-15(12-5-3-2-4-6-12)13-9-7-11(14)8-10-13/h2-10H,1H3
InChIKeyRWAFDZUBPNFOTL-UHFFFAOYSA-N
XLogP3.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;bis(N-methyl-N-phenylaniline)
CID 160716887
4-fluoro-N-methoxy-N-phenylaniline
CID 88537361
ethene;N-methyl-N-phenylaniline
CID 144541479
benzene;N,4-dimethyl-N-phenylaniline
CID 71196716
N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline
CID 157333767
N-[(4-fluorophenyl)methoxy]-N-methylaniline
CID 87539349
4-fluoro-N-phenyl-N-propan-2-ylaniline
CID 10998781
3-(4-fluoro-N-methylanilino)benzonitrile
CID 102816079
N,4-dimethyl-N-phenylaniline;ethane;toluene
CID 143203824
1-N,4-N-dimethyl-4-N-phenylbenzene-1,4-diamine
CID 57314003
4-ethyl-N-(4-fluorophenyl)-N-phenylaniline
CID 154721984
1-N-methyl-1-N,4-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 59431689

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-phenylaniline?
The IUPAC name of 4-fluoro-N-methyl-N-phenylaniline (CID 54288754) is 4-fluoro-N-methyl-N-phenylaniline.
What is the SMILES notation for 4-fluoro-N-methyl-N-phenylaniline?
The canonical SMILES for 4-fluoro-N-methyl-N-phenylaniline is CN(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-methyl-N-phenylaniline?
The InChIKey is RWAFDZUBPNFOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN/c1-15(12-5-3-2-4-6-12)13-9-7-11(14)8-10-13/h2-10H,1H3.
What are the key properties of 4-fluoro-N-methyl-N-phenylaniline?
4-fluoro-N-methyl-N-phenylaniline has a molecular weight of 201.24 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-phenylaniline is sourced from PubChem (CID 54288754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).