4-fluoro-5-methyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]benzene-1,2-diamine

C15H14F4N2 — CID 103590333

IUPAC4-fluoro-5-methyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]benzene-1,2-diamine
SMILESCc1cc(NCc2ccccc2C(F)(F)F)c(N)cc1F
InChIInChI=1S/C15H14F4N2/c1-9-6-14(13(20)7-12(9)16)21-8-10-4-2-3-5-11(10)15(17,18)19/h2-7,21H,8,20H2,1H3
InChIKeyVGCOSHJYXNSITI-UHFFFAOYSA-N
MW298.28 g/mol
LogP4.35
Rot. Bonds3

About 4-fluoro-5-methyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]benzene-1,2-diamine

4-fluoro-5-methyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]benzene-1,2-diamine (PubChem CID 103590333) has the molecular formula C15H14F4N2 and a molecular weight of 298.28 g/mol. Its IUPAC name is 4-fluoro-5-methyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-5-methyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]benzene-1,2-diamine
PubChem CID103590333
Molecular FormulaC15H14F4N2
Molecular Weight298.28 g/mol
Exact Mass298.11
IUPAC Name4-fluoro-5-methyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]benzene-1,2-diamine
SMILESCc1cc(NCc2ccccc2C(F)(F)F)c(N)cc1F
InChIInChI=1S/C15H14F4N2/c1-9-6-14(13(20)7-12(9)16)21-8-10-4-2-3-5-11(10)15(17,18)19/h2-7,21H,8,20H2,1H3
InChIKeyVGCOSHJYXNSITI-UHFFFAOYSA-N
XLogP4.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-fluoro-1-N-[[2-(trifluoromethyl)phenyl]methyl]benzene-1,2-diamine
CID 66078811
1-N-[(2-bromophenyl)methyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590055
2-N-[(2-fluorophenyl)methyl]-4,5-dimethylbenzene-1,2-diamine
CID 115126755
2-methyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine
CID 62881302
5-chloro-2-fluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 43385725
N-[(2-aminophenyl)methyl]-2,5-difluoro-4-methylaniline
CID 103584865
2,3-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 61075903
4-fluoro-1-N-(furan-2-ylmethyl)-5-methylbenzene-1,2-diamine
CID 103589771
4-chloro-5-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 66077026
2-chloro-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 107630492
4-fluoro-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 55591594
4-bromo-2,6-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 65468894

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]benzene-1,2-diamine?
The IUPAC name of 4-fluoro-5-methyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]benzene-1,2-diamine (CID 103590333) is 4-fluoro-5-methyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-5-methyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-5-methyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]benzene-1,2-diamine is Cc1cc(NCc2ccccc2C(F)(F)F)c(N)cc1F.
What is the InChIKey of 4-fluoro-5-methyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]benzene-1,2-diamine?
The InChIKey is VGCOSHJYXNSITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4N2/c1-9-6-14(13(20)7-12(9)16)21-8-10-4-2-3-5-11(10)15(17,18)19/h2-7,21H,8,20H2,1H3.
What are the key properties of 4-fluoro-5-methyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]benzene-1,2-diamine?
4-fluoro-5-methyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]benzene-1,2-diamine has a molecular weight of 298.28 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]benzene-1,2-diamine is sourced from PubChem (CID 103590333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).