N-[[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]propan-2-amine

C16H17F3N2 — CID 102708697

IUPACN-[[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2cnccc2C(F)(F)F)cc1
InChIInChI=1S/C16H17F3N2/c1-11(2)21-9-12-3-5-13(6-4-12)14-10-20-8-7-15(14)16(17,18)19/h3-8,10-11,21H,9H2,1-2H3
InChIKeyQEHJYFXHCOVYIS-UHFFFAOYSA-N
MW294.32 g/mol
LogP4.27
Rot. Bonds4

About N-[[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]propan-2-amine

N-[[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]propan-2-amine (PubChem CID 102708697) has the molecular formula C16H17F3N2 and a molecular weight of 294.32 g/mol. Its IUPAC name is N-[[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]propan-2-amine
PubChem CID102708697
Molecular FormulaC16H17F3N2
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC NameN-[[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2cnccc2C(F)(F)F)cc1
InChIInChI=1S/C16H17F3N2/c1-11(2)21-9-12-3-5-13(6-4-12)14-10-20-8-7-15(14)16(17,18)19/h3-8,10-11,21H,9H2,1-2H3
InChIKeyQEHJYFXHCOVYIS-UHFFFAOYSA-N
XLogP4.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]propan-2-amine (CID 102708697) is N-[[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]propan-2-amine is CC(C)NCc1ccc(-c2cnccc2C(F)(F)F)cc1.
What is the InChIKey of N-[[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]propan-2-amine?
The InChIKey is QEHJYFXHCOVYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2/c1-11(2)21-9-12-3-5-13(6-4-12)14-10-20-8-7-15(14)16(17,18)19/h3-8,10-11,21H,9H2,1-2H3.
What are the key properties of N-[[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]propan-2-amine?
N-[[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]propan-2-amine has a molecular weight of 294.32 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 102708697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).