N-[(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine

C15H15F3N2 — CID 82822811

IUPACN-[(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccncc1F)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H15F3N2/c1-3-20-15(10-6-7-19-8-12(10)17)13-11(16)5-4-9(2)14(13)18/h4-8,15,20H,3H2,1-2H3
InChIKeyMSISHVSNWSXMPA-UHFFFAOYSA-N
MW280.29 g/mol
LogP3.51
Rot. Bonds4

About N-[(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine

N-[(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine (PubChem CID 82822811) has the molecular formula C15H15F3N2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-[(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
PubChem CID82822811
Molecular FormulaC15H15F3N2
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC NameN-[(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccncc1F)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H15F3N2/c1-3-20-15(10-6-7-19-8-12(10)17)13-11(16)5-4-9(2)14(13)18/h4-8,15,20H,3H2,1-2H3
InChIKeyMSISHVSNWSXMPA-UHFFFAOYSA-N
XLogP3.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,6-difluoro-3-methylphenyl)-(3-methoxy-4-pyridinyl)methyl]ethanamine
CID 105065970
N-[(2,6-difluoro-3-methylphenyl)-pyridin-4-ylmethyl]ethanamine
CID 82822617
N-[(2,6-difluoro-3-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878610
N-[(3-chloro-4-pyridinyl)-(2,6-difluoro-3-methylphenyl)methyl]propan-1-amine
CID 105175887
N-[(2-chloro-6-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 105038137
N-[(4-bromo-2,6-difluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 105038311
N-[(3-fluoro-4-pyridinyl)-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 104738170
N-[(2,6-difluoro-3-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 82822460
N-[(3-bromo-2,6-difluorophenyl)-(3-chloro-4-pyridinyl)methyl]ethanamine
CID 106944470
(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 82822647
N-[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]ethanamine
CID 104738234
N-[(2,6-difluoro-3-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 104790100

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine (CID 82822811) is N-[(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine is CCNC(c1ccncc1F)c1c(F)ccc(C)c1F.
What is the InChIKey of N-[(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine?
The InChIKey is MSISHVSNWSXMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2/c1-3-20-15(10-6-7-19-8-12(10)17)13-11(16)5-4-9(2)14(13)18/h4-8,15,20H,3H2,1-2H3.
What are the key properties of N-[(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine?
N-[(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine has a molecular weight of 280.29 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 82822811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).