1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine

C14H14F2N2 — CID 66446522

IUPAC1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine
SMILESCc1ccc(CC(N)c2cccc(F)c2F)nc1
InChIInChI=1S/C14H14F2N2/c1-9-5-6-10(18-8-9)7-13(17)11-3-2-4-12(15)14(11)16/h2-6,8,13H,7,17H2,1H3
InChIKeyOJTYWJCJCYRJGF-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.91
Rot. Bonds3

About 1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine

1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine (PubChem CID 66446522) has the molecular formula C14H14F2N2 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine
PubChem CID66446522
Molecular FormulaC14H14F2N2
Molecular Weight248.28 g/mol
Exact Mass248.11
IUPAC Name1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine
SMILESCc1ccc(CC(N)c2cccc(F)c2F)nc1
InChIInChI=1S/C14H14F2N2/c1-9-5-6-10(18-8-9)7-13(17)11-3-2-4-12(15)14(11)16/h2-6,8,13H,7,17H2,1H3
InChIKeyOJTYWJCJCYRJGF-UHFFFAOYSA-N
XLogP2.91
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanol
CID 66461531
1-(2,3-difluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 66447887
2-(5-methyl-2-pyridinyl)-1-naphthalen-1-ylethanamine
CID 66446913
2-(5-methyl-2-pyridinyl)-1-phenylethanamine
CID 63196674
1-(2-bromo-4-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66446521
1-(2,6-difluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 66446542
1-(1-benzofuran-3-yl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66447303
1-(2,3-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826541
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 81454622
1-(furan-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66446721
(1R)-1-(2,3-difluorophenyl)-2-fluoroethanamine
CID 130740137
1-(5-bromo-2-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66446142

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine (CID 66446522) is 1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine is Cc1ccc(CC(N)c2cccc(F)c2F)nc1.
What is the InChIKey of 1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine?
The InChIKey is OJTYWJCJCYRJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2/c1-9-5-6-10(18-8-9)7-13(17)11-3-2-4-12(15)14(11)16/h2-6,8,13H,7,17H2,1H3.
What are the key properties of 1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine?
1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine has a molecular weight of 248.28 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 66446522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).