N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine

C16H17F3N2 — CID 62802656

IUPACN-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
SMILESCCCNC(c1ccccn1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H17F3N2/c1-2-10-21-15(14-9-5-6-11-20-14)12-7-3-4-8-13(12)16(17,18)19/h3-9,11,15,21H,2,10H2,1H3
InChIKeyQZYKNFRIZOBTJU-UHFFFAOYSA-N
MW294.32 g/mol
LogP4.19
Rot. Bonds5

About N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine

N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine (PubChem CID 62802656) has the molecular formula C16H17F3N2 and a molecular weight of 294.32 g/mol. Its IUPAC name is N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
PubChem CID62802656
Molecular FormulaC16H17F3N2
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC NameN-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
SMILESCCCNC(c1ccccn1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H17F3N2/c1-2-10-21-15(14-9-5-6-11-20-14)12-7-3-4-8-13(12)16(17,18)19/h3-9,11,15,21H,2,10H2,1H3
InChIKeyQZYKNFRIZOBTJU-UHFFFAOYSA-N
XLogP4.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3-dimethylphenyl)-pyridin-2-ylmethyl]propan-1-amine
CID 62548702
N-[pyridin-2-yl-(2,3,4-trifluorophenyl)methyl]propan-1-amine
CID 62965809
N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 61316143
N-[(2-methylpyrazol-3-yl)-pyridin-2-ylmethyl]propan-1-amine
CID 63962466
N-(dipyridin-2-ylmethyl)pentan-1-amine
CID 123815817
2-[[2-[[(R)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethylamino]-pyridin-2-ylmethyl]phenol
CID 145259803
N-[(2,6-difluoro-3-methylphenyl)-pyridin-2-ylmethyl]propan-1-amine
CID 82822208
N-[1-benzofuran-2-yl(pyridin-2-yl)methyl]propan-1-amine
CID 114727718
2,2-difluoro-N-propyl-4-pyridin-2-ylpentan-3-amine
CID 114249556
N-[naphthalen-2-yl(pyridin-2-yl)methyl]propan-1-amine
CID 62790514
N-[phenyl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
CID 102708017
2,2-dimethyl-N-propyl-1-pyridin-2-ylpropan-1-amine
CID 62395548

Frequently Asked Questions

What is the IUPAC name of N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine (CID 62802656) is N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine is CCCNC(c1ccccn1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The InChIKey is QZYKNFRIZOBTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2/c1-2-10-21-15(14-9-5-6-11-20-14)12-7-3-4-8-13(12)16(17,18)19/h3-9,11,15,21H,2,10H2,1H3.
What are the key properties of N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine?
N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine has a molecular weight of 294.32 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 62802656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).