N-[[4-(trifluoromethyl)phenyl]methyl]propan-2-amine

C11H14F3N — CID 19826566

IUPACN-[[4-(trifluoromethyl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H14F3N/c1-8(2)15-7-9-3-5-10(6-4-9)11(12,13)14/h3-6,8,15H,7H2,1-2H3
InChIKeyWPZZZIHJKLUFKE-UHFFFAOYSA-N
MW217.23 g/mol
LogP3.20
Rot. Bonds3

About N-[[4-(trifluoromethyl)phenyl]methyl]propan-2-amine

N-[[4-(trifluoromethyl)phenyl]methyl]propan-2-amine (PubChem CID 19826566) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is N-[[4-(trifluoromethyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(trifluoromethyl)phenyl]methyl]propan-2-amine
PubChem CID19826566
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC NameN-[[4-(trifluoromethyl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H14F3N/c1-8(2)15-7-9-3-5-10(6-4-9)11(12,13)14/h3-6,8,15H,7H2,1-2H3
InChIKeyWPZZZIHJKLUFKE-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(trifluoromethyl)phenyl]methyl]propan-2-amine (CID 19826566) is N-[[4-(trifluoromethyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(trifluoromethyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(trifluoromethyl)phenyl]methyl]propan-2-amine is CC(C)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[[4-(trifluoromethyl)phenyl]methyl]propan-2-amine?
The InChIKey is WPZZZIHJKLUFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N/c1-8(2)15-7-9-3-5-10(6-4-9)11(12,13)14/h3-6,8,15H,7H2,1-2H3.
What are the key properties of N-[[4-(trifluoromethyl)phenyl]methyl]propan-2-amine?
N-[[4-(trifluoromethyl)phenyl]methyl]propan-2-amine has a molecular weight of 217.23 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 19826566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).