N-[(3-aminophenyl)methyl]-2-fluoro-N-methyl-4-(trifluoromethyl)aniline

C15H14F4N2 — CID 107303897

IUPACN-[(3-aminophenyl)methyl]-2-fluoro-N-methyl-4-(trifluoromethyl)aniline
SMILESCN(Cc1cccc(N)c1)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C15H14F4N2/c1-21(9-10-3-2-4-12(20)7-10)14-6-5-11(8-13(14)16)15(17,18)19/h2-8H,9,20H2,1H3
InChIKeyWZISBIKXNXXNDX-UHFFFAOYSA-N
MW298.28 g/mol
LogP4.06
Rot. Bonds3

About N-[(3-aminophenyl)methyl]-2-fluoro-N-methyl-4-(trifluoromethyl)aniline

N-[(3-aminophenyl)methyl]-2-fluoro-N-methyl-4-(trifluoromethyl)aniline (PubChem CID 107303897) has the molecular formula C15H14F4N2 and a molecular weight of 298.28 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-2-fluoro-N-methyl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-2-fluoro-N-methyl-4-(trifluoromethyl)aniline
PubChem CID107303897
Molecular FormulaC15H14F4N2
Molecular Weight298.28 g/mol
Exact Mass298.11
IUPAC NameN-[(3-aminophenyl)methyl]-2-fluoro-N-methyl-4-(trifluoromethyl)aniline
SMILESCN(Cc1cccc(N)c1)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C15H14F4N2/c1-21(9-10-3-2-4-12(20)7-10)14-6-5-11(8-13(14)16)15(17,18)19/h2-8H,9,20H2,1H3
InChIKeyWZISBIKXNXXNDX-UHFFFAOYSA-N
XLogP4.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]aniline
CID 43457992
3-[(4-amino-2-fluoro-N-methylanilino)methyl]benzonitrile
CID 55140609
N-benzyl-2-iodo-N-methyl-4-(trifluoromethyl)aniline
CID 162539273
2-fluoro-1-N-methyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine
CID 60891924
N-benzyl-2,4-difluoro-N-methylaniline
CID 110454539
1-N-methyl-1-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 43527368
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
N-methyl-N-oxido-1-[3-(trifluoromethyl)phenyl]methanamine
CID 163878102
4-(2-aminopropyl)-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 63817189
N-[(3-aminophenyl)methyl]-N-methylpyridin-4-amine
CID 60877422
N-[(3-chlorocyclobutyl)methyl]-2-fluoro-N-methyl-4-(trifluoromethyl)aniline
CID 107304112
[4-[(3-chlorophenyl)methyl-methylamino]-3-fluorophenyl]methanol
CID 61417217

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-2-fluoro-N-methyl-4-(trifluoromethyl)aniline?
The IUPAC name of N-[(3-aminophenyl)methyl]-2-fluoro-N-methyl-4-(trifluoromethyl)aniline (CID 107303897) is N-[(3-aminophenyl)methyl]-2-fluoro-N-methyl-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-2-fluoro-N-methyl-4-(trifluoromethyl)aniline?
The canonical SMILES for N-[(3-aminophenyl)methyl]-2-fluoro-N-methyl-4-(trifluoromethyl)aniline is CN(Cc1cccc(N)c1)c1ccc(C(F)(F)F)cc1F.
What is the InChIKey of N-[(3-aminophenyl)methyl]-2-fluoro-N-methyl-4-(trifluoromethyl)aniline?
The InChIKey is WZISBIKXNXXNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4N2/c1-21(9-10-3-2-4-12(20)7-10)14-6-5-11(8-13(14)16)15(17,18)19/h2-8H,9,20H2,1H3.
What are the key properties of N-[(3-aminophenyl)methyl]-2-fluoro-N-methyl-4-(trifluoromethyl)aniline?
N-[(3-aminophenyl)methyl]-2-fluoro-N-methyl-4-(trifluoromethyl)aniline has a molecular weight of 298.28 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-2-fluoro-N-methyl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 107303897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).