N-[(3-fluoro-4-pyridinyl)-(2,4,6-trifluorophenyl)methyl]propan-1-amine

C15H14F4N2 — CID 105038327

IUPACN-[(3-fluoro-4-pyridinyl)-(2,4,6-trifluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccncc1F)c1c(F)cc(F)cc1F
InChIInChI=1S/C15H14F4N2/c1-2-4-21-15(10-3-5-20-8-13(10)19)14-11(17)6-9(16)7-12(14)18/h3,5-8,15,21H,2,4H2,1H3
InChIKeyBJBPCCNKPHYPHT-UHFFFAOYSA-N
MW298.28 g/mol
LogP3.73
Rot. Bonds5

About N-[(3-fluoro-4-pyridinyl)-(2,4,6-trifluorophenyl)methyl]propan-1-amine

N-[(3-fluoro-4-pyridinyl)-(2,4,6-trifluorophenyl)methyl]propan-1-amine (PubChem CID 105038327) has the molecular formula C15H14F4N2 and a molecular weight of 298.28 g/mol. Its IUPAC name is N-[(3-fluoro-4-pyridinyl)-(2,4,6-trifluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-pyridinyl)-(2,4,6-trifluorophenyl)methyl]propan-1-amine
PubChem CID105038327
Molecular FormulaC15H14F4N2
Molecular Weight298.28 g/mol
Exact Mass298.11
IUPAC NameN-[(3-fluoro-4-pyridinyl)-(2,4,6-trifluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccncc1F)c1c(F)cc(F)cc1F
InChIInChI=1S/C15H14F4N2/c1-2-4-21-15(10-3-5-20-8-13(10)19)14-11(17)6-9(16)7-12(14)18/h3,5-8,15,21H,2,4H2,1H3
InChIKeyBJBPCCNKPHYPHT-UHFFFAOYSA-N
XLogP3.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-fluoro-4-pyridinyl)-(2,4,6-trifluorophenyl)methyl]propan-1-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-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 113447223
N-[(3-fluoro-4-pyridinyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105181955
N-[(2-chloro-6-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
CID 105038416
N-[(3-fluoro-4-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 113447225
N-[(4-bromo-2,6-difluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 105038311
N-[(5-chloro-2-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
CID 105038130
N-[(3-fluoro-4-pyridinyl)-(2-iodophenyl)methyl]propan-1-amine
CID 105038095
N-[(3-chloro-4-pyridinyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 105149426
N-[(2-bromo-4-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
CID 105038165
N-[(3-fluoro-4-pyridinyl)-(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 114031712
N-[2,3-dihydro-1H-inden-5-yl-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
CID 105038338
N-[(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 82822811

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-pyridinyl)-(2,4,6-trifluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-fluoro-4-pyridinyl)-(2,4,6-trifluorophenyl)methyl]propan-1-amine (CID 105038327) is N-[(3-fluoro-4-pyridinyl)-(2,4,6-trifluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-fluoro-4-pyridinyl)-(2,4,6-trifluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-fluoro-4-pyridinyl)-(2,4,6-trifluorophenyl)methyl]propan-1-amine is CCCNC(c1ccncc1F)c1c(F)cc(F)cc1F.
What is the InChIKey of N-[(3-fluoro-4-pyridinyl)-(2,4,6-trifluorophenyl)methyl]propan-1-amine?
The InChIKey is BJBPCCNKPHYPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4N2/c1-2-4-21-15(10-3-5-20-8-13(10)19)14-11(17)6-9(16)7-12(14)18/h3,5-8,15,21H,2,4H2,1H3.
What are the key properties of N-[(3-fluoro-4-pyridinyl)-(2,4,6-trifluorophenyl)methyl]propan-1-amine?
N-[(3-fluoro-4-pyridinyl)-(2,4,6-trifluorophenyl)methyl]propan-1-amine has a molecular weight of 298.28 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-pyridinyl)-(2,4,6-trifluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 105038327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).