N-[pyridin-2-yl-(2,3,4-trifluorophenyl)methyl]propan-1-amine

C15H15F3N2 — CID 62965809

IUPACN-[pyridin-2-yl-(2,3,4-trifluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccn1)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H15F3N2/c1-2-8-20-15(12-5-3-4-9-19-12)10-6-7-11(16)14(18)13(10)17/h3-7,9,15,20H,2,8H2,1H3
InChIKeyMSRDTKXVVXOFMC-UHFFFAOYSA-N
MW280.29 g/mol
LogP3.59
Rot. Bonds5

About N-[pyridin-2-yl-(2,3,4-trifluorophenyl)methyl]propan-1-amine

N-[pyridin-2-yl-(2,3,4-trifluorophenyl)methyl]propan-1-amine (PubChem CID 62965809) has the molecular formula C15H15F3N2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-[pyridin-2-yl-(2,3,4-trifluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[pyridin-2-yl-(2,3,4-trifluorophenyl)methyl]propan-1-amine
PubChem CID62965809
Molecular FormulaC15H15F3N2
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC NameN-[pyridin-2-yl-(2,3,4-trifluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccn1)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H15F3N2/c1-2-8-20-15(12-5-3-4-9-19-12)10-6-7-11(16)14(18)13(10)17/h3-7,9,15,20H,2,8H2,1H3
InChIKeyMSRDTKXVVXOFMC-UHFFFAOYSA-N
XLogP3.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[(2,6-difluoro-3-methylphenyl)-pyridin-2-ylmethyl]propan-1-amine
CID 82822208
N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 62802656
N-[pyridin-4-yl-(2,3,4-trifluorophenyl)methyl]propan-1-amine
CID 62963949
N-[(2,3-dimethylphenyl)-pyridin-2-ylmethyl]propan-1-amine
CID 62548702
N-[(2,3-difluorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 63990262
N-[(2,3-difluoro-4-methylphenyl)-(3-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 107513715
N-[(2,3-difluoro-4-methylphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine
CID 107513360
N-[(2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methyl]propan-1-amine
CID 115858376
N-(dipyridin-2-ylmethyl)pentan-1-amine
CID 123815817
N-[(4-methyl-2-pyridinyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 63840403
N-[bis(2,3-difluorophenyl)methyl]propan-1-amine
CID 115862083
N-[naphthalen-2-yl(pyridin-2-yl)methyl]propan-1-amine
CID 62790514

Frequently Asked Questions

What is the IUPAC name of N-[pyridin-2-yl-(2,3,4-trifluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[pyridin-2-yl-(2,3,4-trifluorophenyl)methyl]propan-1-amine (CID 62965809) is N-[pyridin-2-yl-(2,3,4-trifluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[pyridin-2-yl-(2,3,4-trifluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[pyridin-2-yl-(2,3,4-trifluorophenyl)methyl]propan-1-amine is CCCNC(c1ccccn1)c1ccc(F)c(F)c1F.
What is the InChIKey of N-[pyridin-2-yl-(2,3,4-trifluorophenyl)methyl]propan-1-amine?
The InChIKey is MSRDTKXVVXOFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2/c1-2-8-20-15(12-5-3-4-9-19-12)10-6-7-11(16)14(18)13(10)17/h3-7,9,15,20H,2,8H2,1H3.
What are the key properties of N-[pyridin-2-yl-(2,3,4-trifluorophenyl)methyl]propan-1-amine?
N-[pyridin-2-yl-(2,3,4-trifluorophenyl)methyl]propan-1-amine has a molecular weight of 280.29 g/mol, XLogP of 3.59, 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-(2,3,4-trifluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 62965809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).