5-fluoro-2-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline

C14H11F4N — CID 103818107

IUPAC5-fluoro-2-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline
SMILESCc1ccc(F)cc1NCc1cc(F)c(F)cc1F
InChIInChI=1S/C14H11F4N/c1-8-2-3-10(15)5-14(8)19-7-9-4-12(17)13(18)6-11(9)16/h2-6,19H,7H2,1H3
InChIKeyFGYBOBAAUMKQSF-UHFFFAOYSA-N
MW269.24 g/mol
LogP4.16
Rot. Bonds3

About 5-fluoro-2-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline

5-fluoro-2-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline (PubChem CID 103818107) has the molecular formula C14H11F4N and a molecular weight of 269.24 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline
PubChem CID103818107
Molecular FormulaC14H11F4N
Molecular Weight269.24 g/mol
Exact Mass269.08
IUPAC Name5-fluoro-2-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline
SMILESCc1ccc(F)cc1NCc1cc(F)c(F)cc1F
InChIInChI=1S/C14H11F4N/c1-8-2-3-10(15)5-14(8)19-7-9-4-12(17)13(18)6-11(9)16/h2-6,19H,7H2,1H3
InChIKeyFGYBOBAAUMKQSF-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-methylaniline
CID 28532250
2-fluoro-6-[(5-fluoro-2-methylanilino)methyl]phenol
CID 112606277
4-[(5-fluoro-2-methylanilino)methyl]benzene-1,2,3-triol
CID 103952997
N-[(5-bromo-2-chlorophenyl)methyl]-5-fluoro-2-methylaniline
CID 114076385
4-[(5-fluoro-2-methylanilino)methyl]-2,6-dimethylphenol
CID 28932344
5-bromo-N-[(2,5-difluorophenyl)methyl]-4-fluoro-2-methylaniline
CID 107591672
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-5-fluoro-2-methylaniline
CID 43425414
5-fluoro-2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 29269385
N-[(2,4-difluorophenyl)methyl]-4-methylpyridin-3-amine
CID 63329924
5-fluoro-2-methyl-N-prop-2-ynylaniline
CID 60679305
5-fluoro-2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43764091
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-5-fluoro-2-methylaniline
CID 43764075

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline?
The IUPAC name of 5-fluoro-2-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline (CID 103818107) is 5-fluoro-2-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline.
What is the SMILES notation for 5-fluoro-2-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline?
The canonical SMILES for 5-fluoro-2-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline is Cc1ccc(F)cc1NCc1cc(F)c(F)cc1F.
What is the InChIKey of 5-fluoro-2-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline?
The InChIKey is FGYBOBAAUMKQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4N/c1-8-2-3-10(15)5-14(8)19-7-9-4-12(17)13(18)6-11(9)16/h2-6,19H,7H2,1H3.
What are the key properties of 5-fluoro-2-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline?
5-fluoro-2-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline has a molecular weight of 269.24 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline is sourced from PubChem (CID 103818107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).