N-benzyl-1-[4-(trifluoromethyl)phenyl]ethanamine

C16H16F3N — CID 43190951

IUPACN-benzyl-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NCc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3N/c1-12(20-11-13-5-3-2-4-6-13)14-7-9-15(10-8-14)16(17,18)19/h2-10,12,20H,11H2,1H3
InChIKeyDJWWDSQXAZBQOS-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.56
Rot. Bonds4

About N-benzyl-1-[4-(trifluoromethyl)phenyl]ethanamine

N-benzyl-1-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 43190951) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is N-benzyl-1-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-benzyl-1-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID43190951
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC NameN-benzyl-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NCc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3N/c1-12(20-11-13-5-3-2-4-6-13)14-7-9-15(10-8-14)16(17,18)19/h2-10,12,20H,11H2,1H3
InChIKeyDJWWDSQXAZBQOS-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-benzyl-1-[4-(trifluoromethyl)phenyl]ethanamine (CID 43190951) is N-benzyl-1-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-benzyl-1-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-benzyl-1-[4-(trifluoromethyl)phenyl]ethanamine is CC(NCc1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-benzyl-1-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is DJWWDSQXAZBQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c1-12(20-11-13-5-3-2-4-6-13)14-7-9-15(10-8-14)16(17,18)19/h2-10,12,20H,11H2,1H3.
What are the key properties of N-benzyl-1-[4-(trifluoromethyl)phenyl]ethanamine?
N-benzyl-1-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 279.31 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 43190951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).