2,5-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylaniline

C15H14F3N — CID 103585043

IUPAC2,5-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylaniline
SMILESCc1cc(CNc2cc(F)c(C)cc2F)ccc1F
InChIInChI=1S/C15H14F3N/c1-9-5-11(3-4-12(9)16)8-19-15-7-13(17)10(2)6-14(15)18/h3-7,19H,8H2,1-2H3
InChIKeyAMNPHWYAAZBZLE-UHFFFAOYSA-N
MW265.28 g/mol
LogP4.33
Rot. Bonds3

About 2,5-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylaniline

2,5-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylaniline (PubChem CID 103585043) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is 2,5-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylaniline.

Molecular Properties

Compound Name2,5-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylaniline
PubChem CID103585043
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name2,5-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylaniline
SMILESCc1cc(CNc2cc(F)c(C)cc2F)ccc1F
InChIInChI=1S/C15H14F3N/c1-9-5-11(3-4-12(9)16)8-19-15-7-13(17)10(2)6-14(15)18/h3-7,19H,8H2,1-2H3
InChIKeyAMNPHWYAAZBZLE-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2,5-difluoro-4-methylanilino)methyl]phenol
CID 103585182
4-chloro-2-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62120578
2,5-difluoro-4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 103584823
N-(1,3-benzodioxol-5-ylmethyl)-2,5-difluoro-4-methylaniline
CID 103584645
N-[(4-fluoro-3-methylphenyl)methyl]-4-iodo-2-methylaniline
CID 63440747
2-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-3-methylaniline
CID 114251741
4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-2-iodoaniline
CID 79768891
2,3,5,6-tetrafluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 107643878
N-[(4-fluoro-3-methylphenyl)methyl]-3,5-dimethylaniline
CID 55040391
2,6-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62121783
4-chloro-2-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63645041
3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylaniline
CID 63419437

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylaniline?
The IUPAC name of 2,5-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylaniline (CID 103585043) is 2,5-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylaniline.
What is the SMILES notation for 2,5-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylaniline?
The canonical SMILES for 2,5-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylaniline is Cc1cc(CNc2cc(F)c(C)cc2F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylaniline?
The InChIKey is AMNPHWYAAZBZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N/c1-9-5-11(3-4-12(9)16)8-19-15-7-13(17)10(2)6-14(15)18/h3-7,19H,8H2,1-2H3.
What are the key properties of 2,5-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylaniline?
2,5-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylaniline has a molecular weight of 265.28 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylaniline is sourced from PubChem (CID 103585043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).