4-fluoro-N-[(4-fluorophenyl)methyl]aniline

C13H11F2N — CID 1133337

IUPAC4-fluoro-N-[(4-fluorophenyl)methyl]aniline
SMILESFc1ccc(CNc2ccc(F)cc2)cc1
InChIInChI=1S/C13H11F2N/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8,16H,9H2
InChIKeyOQVIJNAAQBTAAY-UHFFFAOYSA-N
MW219.23 g/mol
LogP3.58
Rot. Bonds3

About 4-fluoro-N-[(4-fluorophenyl)methyl]aniline

4-fluoro-N-[(4-fluorophenyl)methyl]aniline (PubChem CID 1133337) has the molecular formula C13H11F2N and a molecular weight of 219.23 g/mol. Its IUPAC name is 4-fluoro-N-[(4-fluorophenyl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[(4-fluorophenyl)methyl]aniline
PubChem CID1133337
Molecular FormulaC13H11F2N
Molecular Weight219.23 g/mol
Exact Mass219.09
IUPAC Name4-fluoro-N-[(4-fluorophenyl)methyl]aniline
SMILESFc1ccc(CNc2ccc(F)cc2)cc1
InChIInChI=1S/C13H11F2N/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8,16H,9H2
InChIKeyOQVIJNAAQBTAAY-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(4-fluorophenyl)methylamino]benzonitrile
CID 22353725
[4-[(4-fluorophenyl)methylamino]phenyl]boronic acid
CID 165354988
N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)aniline
CID 83961111
4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126204323
N-tert-butylsulfanyl-4-[(4-fluoroanilino)methyl]aniline
CID 59231337
N-[4-[(4-fluorophenyl)methylamino]phenyl]ethanesulfonamide
CID 60932275
4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]aniline
CID 43453369
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide
CID 112982456
1-[4-[(4-fluorophenyl)methylamino]phenyl]-N-methylmethanesulfonamide
CID 110170599
4-fluoro-N-[(4-propoxyphenyl)methyl]aniline
CID 40650179
N-[4-[(4-fluorophenyl)methylamino]phenyl]-2,2-dimethylpropanamide
CID 112982446
4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63645330

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-fluorophenyl)methyl]aniline?
The IUPAC name of 4-fluoro-N-[(4-fluorophenyl)methyl]aniline (CID 1133337) is 4-fluoro-N-[(4-fluorophenyl)methyl]aniline.
What is the SMILES notation for 4-fluoro-N-[(4-fluorophenyl)methyl]aniline?
The canonical SMILES for 4-fluoro-N-[(4-fluorophenyl)methyl]aniline is Fc1ccc(CNc2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[(4-fluorophenyl)methyl]aniline?
The InChIKey is OQVIJNAAQBTAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8,16H,9H2.
What are the key properties of 4-fluoro-N-[(4-fluorophenyl)methyl]aniline?
4-fluoro-N-[(4-fluorophenyl)methyl]aniline has a molecular weight of 219.23 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(4-fluorophenyl)methyl]aniline is sourced from PubChem (CID 1133337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).