N-benzyl-2-[4-(trifluoromethyl)phenyl]ethanamine

C16H16F3N — CID 24754485

IUPACN-benzyl-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESFC(F)(F)c1ccc(CCNCc2ccccc2)cc1
InChIInChI=1S/C16H16F3N/c17-16(18,19)15-8-6-13(7-9-15)10-11-20-12-14-4-2-1-3-5-14/h1-9,20H,10-12H2
InChIKeyICQHUTCXFXTKLA-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.04
Rot. Bonds5

About N-benzyl-2-[4-(trifluoromethyl)phenyl]ethanamine

N-benzyl-2-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 24754485) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is N-benzyl-2-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-benzyl-2-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID24754485
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC NameN-benzyl-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESFC(F)(F)c1ccc(CCNCc2ccccc2)cc1
InChIInChI=1S/C16H16F3N/c17-16(18,19)15-8-6-13(7-9-15)10-11-20-12-14-4-2-1-3-5-14/h1-9,20H,10-12H2
InChIKeyICQHUTCXFXTKLA-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 115572429
N-[(4-ethylphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 17289928
N-benzyl-2-(4-propylphenyl)ethanamine
CID 68807440
N-(furan-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 55021280
2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60647921
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
3-(benzylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 42695490
3-(3-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 144539851
N-benzyl-2-phenylethanamine;isothiocyanic acid
CID 87452788
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine
CID 42776865
N-benzyl-2-phenylethanamine;butane-1,4-diamine
CID 23298616

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-benzyl-2-[4-(trifluoromethyl)phenyl]ethanamine (CID 24754485) is N-benzyl-2-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-benzyl-2-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-benzyl-2-[4-(trifluoromethyl)phenyl]ethanamine is FC(F)(F)c1ccc(CCNCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is ICQHUTCXFXTKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c17-16(18,19)15-8-6-13(7-9-15)10-11-20-12-14-4-2-1-3-5-14/h1-9,20H,10-12H2.
What are the key properties of N-benzyl-2-[4-(trifluoromethyl)phenyl]ethanamine?
N-benzyl-2-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 279.31 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 24754485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).