3,5-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline

C14H12F3N — CID 55245178

IUPAC3,5-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
SMILESCc1ccc(CNc2cc(F)cc(F)c2)cc1F
InChIInChI=1S/C14H12F3N/c1-9-2-3-10(4-14(9)17)8-18-13-6-11(15)5-12(16)7-13/h2-7,18H,8H2,1H3
InChIKeyLXDUDHOXVPZYKL-UHFFFAOYSA-N
MW251.25 g/mol
LogP4.02
Rot. Bonds3

About 3,5-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline

3,5-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline (PubChem CID 55245178) has the molecular formula C14H12F3N and a molecular weight of 251.25 g/mol. Its IUPAC name is 3,5-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name3,5-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
PubChem CID55245178
Molecular FormulaC14H12F3N
Molecular Weight251.25 g/mol
Exact Mass251.09
IUPAC Name3,5-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
SMILESCc1ccc(CNc2cc(F)cc(F)c2)cc1F
InChIInChI=1S/C14H12F3N/c1-9-2-3-10(4-14(9)17)8-18-13-6-11(15)5-12(16)7-13/h2-7,18H,8H2,1H3
InChIKeyLXDUDHOXVPZYKL-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63645330
N-[(3,4-dimethylphenyl)methyl]-3-fluoro-4-methylaniline
CID 43764440
2,6-dichloro-4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 83076631
2,3,5-trifluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63645876
N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxyaniline
CID 55245180
4-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-3-methylaniline
CID 63645668
N-[(4-bromo-3-fluorophenyl)methyl]-3-fluoro-5-methylaniline
CID 81436065
2,6-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63644666
2-fluoro-4-[(3-fluoro-5-methylanilino)methyl]phenol
CID 107685847
N-[(3-fluoro-4-methylphenyl)methyl]-4-propoxyaniline
CID 63645716
N-[5-[(3-fluoro-4-methylphenyl)methylamino]-2-methylphenyl]acetamide
CID 63645883
N-[(4-fluoro-3-methylphenyl)methyl]-3,5-dimethylaniline
CID 55040391

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline?
The IUPAC name of 3,5-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline (CID 55245178) is 3,5-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline.
What is the SMILES notation for 3,5-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline?
The canonical SMILES for 3,5-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline is Cc1ccc(CNc2cc(F)cc(F)c2)cc1F.
What is the InChIKey of 3,5-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline?
The InChIKey is LXDUDHOXVPZYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N/c1-9-2-3-10(4-14(9)17)8-18-13-6-11(15)5-12(16)7-13/h2-7,18H,8H2,1H3.
What are the key properties of 3,5-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline?
3,5-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline has a molecular weight of 251.25 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline is sourced from PubChem (CID 55245178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).