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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine
CID 102708742
N-[[5-[4-(trifluoromethyl)-3-pyridinyl]furan-2-yl]methyl]propan-2-amine
CID 106888255
N-[(4-pyridin-3-ylphenyl)methyl]propan-2-amine
CID 54911631
4-[4-(trifluoromethyl)-3-pyridinyl]benzaldehyde
CID 102708678
N-[[4-(2,4,5-trifluorophenyl)phenyl]methyl]propan-2-amine
CID 115503150
2-fluoro-5-[4-(trifluoromethyl)-3-pyridinyl]pyridine
CID 169408045
N-ethyl-1-[2-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine
CID 102708716
3-methyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyridazine
CID 168913034
N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]propan-2-amine;pyridine-4-carboxylic acid
CID 159024046
[3-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine
CID 102708695
N-[[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]cyclopropanamine
CID 102708741
N-methyl-1-[4-[2-(trifluoromethyl)phenyl]phenyl]methanamine
CID 58609638

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).