4-(aminomethyl)-N-benzyl-2-(trifluoromethyl)aniline

C15H15F3N2 — CID 152566871

IUPAC4-(aminomethyl)-N-benzyl-2-(trifluoromethyl)aniline
SMILESNCc1ccc(NCc2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C15H15F3N2/c16-15(17,18)13-8-12(9-19)6-7-14(13)20-10-11-4-2-1-3-5-11/h1-8,20H,9-10,19H2
InChIKeyYQQSZLSEGIIFHG-UHFFFAOYSA-N
MW280.29 g/mol
LogP3.78
Rot. Bonds4

About 4-(aminomethyl)-N-benzyl-2-(trifluoromethyl)aniline

4-(aminomethyl)-N-benzyl-2-(trifluoromethyl)aniline (PubChem CID 152566871) has the molecular formula C15H15F3N2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 4-(aminomethyl)-N-benzyl-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-benzyl-2-(trifluoromethyl)aniline
PubChem CID152566871
Molecular FormulaC15H15F3N2
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC Name4-(aminomethyl)-N-benzyl-2-(trifluoromethyl)aniline
SMILESNCc1ccc(NCc2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C15H15F3N2/c16-15(17,18)13-8-12(9-19)6-7-14(13)20-10-11-4-2-1-3-5-11/h1-8,20H,9-10,19H2
InChIKeyYQQSZLSEGIIFHG-UHFFFAOYSA-N
XLogP3.78
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-bromo-2-(trifluoromethyl)aniline
CID 60792374
4-bromo-N-[(4-bromophenyl)methyl]-2-(trifluoromethyl)aniline
CID 60790630
4-[[4-bromo-2-(trifluoromethyl)anilino]methyl]phenol
CID 60790628
1-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 60925358
4-bromo-N-[(4-iodophenyl)methyl]-2-(trifluoromethyl)aniline
CID 65477978
4-bromo-N-[(4-ethylphenyl)methyl]-2-(trifluoromethyl)aniline
CID 60791438
4-(aminomethyl)-1-(sulfamoylamino)-2-(trifluoromethyl)benzene
CID 114958581
4-(aminomethyl)-N-benzyl-2-nitroaniline
CID 96664923
N-[[3-(aminomethyl)phenyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline
CID 107303372
N-benzyl-2-fluoro-4-(trifluoromethyl)aniline
CID 103636039
1-N,4-N-dibenzylnaphthalene-1,4-diamine
CID 139621317
4-(aminomethyl)-2-(trifluoromethyl)aniline
CID 55255909

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-benzyl-2-(trifluoromethyl)aniline?
The IUPAC name of 4-(aminomethyl)-N-benzyl-2-(trifluoromethyl)aniline (CID 152566871) is 4-(aminomethyl)-N-benzyl-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-N-benzyl-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-(aminomethyl)-N-benzyl-2-(trifluoromethyl)aniline is NCc1ccc(NCc2ccccc2)c(C(F)(F)F)c1.
What is the InChIKey of 4-(aminomethyl)-N-benzyl-2-(trifluoromethyl)aniline?
The InChIKey is YQQSZLSEGIIFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2/c16-15(17,18)13-8-12(9-19)6-7-14(13)20-10-11-4-2-1-3-5-11/h1-8,20H,9-10,19H2.
What are the key properties of 4-(aminomethyl)-N-benzyl-2-(trifluoromethyl)aniline?
4-(aminomethyl)-N-benzyl-2-(trifluoromethyl)aniline has a molecular weight of 280.29 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-benzyl-2-(trifluoromethyl)aniline is sourced from PubChem (CID 152566871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).