N-benzyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine

C17H18F3N — CID 3046410

IUPACN-benzyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCC(Cc1cccc(C(F)(F)F)c1)NCc1ccccc1
InChIInChI=1S/C17H18F3N/c1-13(21-12-14-6-3-2-4-7-14)10-15-8-5-9-16(11-15)17(18,19)20/h2-9,11,13,21H,10,12H2,1H3
InChIKeyFSLXHGVLOIOQJK-UHFFFAOYSA-N
MW293.33 g/mol
LogP4.43
Rot. Bonds5

About N-benzyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine

N-benzyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 3046410) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is N-benzyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound NameN-benzyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID3046410
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC NameN-benzyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCC(Cc1cccc(C(F)(F)F)c1)NCc1ccccc1
InChIInChI=1S/C17H18F3N/c1-13(21-12-14-6-3-2-4-7-14)10-15-8-5-9-16(11-15)17(18,19)20/h2-9,11,13,21H,10,12H2,1H3
InChIKeyFSLXHGVLOIOQJK-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of N-benzyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine (CID 3046410) is N-benzyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for N-benzyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for N-benzyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine is CC(Cc1cccc(C(F)(F)F)c1)NCc1ccccc1.
What is the InChIKey of N-benzyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is FSLXHGVLOIOQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-13(21-12-14-6-3-2-4-7-14)10-15-8-5-9-16(11-15)17(18,19)20/h2-9,11,13,21H,10,12H2,1H3.
What are the key properties of N-benzyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
N-benzyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 293.33 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 3046410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).