2-(2,3-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine

C14H13F3N2 — CID 79712624

IUPAC2-(2,3-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1F)c1ccc(F)cn1
InChIInChI=1S/C14H13F3N2/c1-18-13(12-6-5-10(15)8-19-12)7-9-3-2-4-11(16)14(9)17/h2-6,8,13,18H,7H2,1H3
InChIKeyDDKVNFLFFMQGBS-UHFFFAOYSA-N
MW266.27 g/mol
LogP3.00
Rot. Bonds4

About 2-(2,3-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine

2-(2,3-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine (PubChem CID 79712624) has the molecular formula C14H13F3N2 and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine
PubChem CID79712624
Molecular FormulaC14H13F3N2
Molecular Weight266.27 g/mol
Exact Mass266.10
IUPAC Name2-(2,3-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1F)c1ccc(F)cn1
InChIInChI=1S/C14H13F3N2/c1-18-13(12-6-5-10(15)8-19-12)7-9-3-2-4-11(16)14(9)17/h2-6,8,13,18H,7H2,1H3
InChIKeyDDKVNFLFFMQGBS-UHFFFAOYSA-N
XLogP3.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,3-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine 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

2-(2,3-difluorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200891
2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine
CID 79713121
[2-(2,3-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]hydrazine
CID 105297985
1-(2-chlorofuran-3-yl)-2-(2,3-difluorophenyl)-N-methylethanamine
CID 106687910
1-(3-bromo-5-fluorophenyl)-2-(2,3-difluorophenyl)-N-methylethanamine
CID 66424445
1-(2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 79712535
2-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylethanamine
CID 62601484
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine
CID 79517373
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine
CID 105040483
1-(2,3-difluorophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-2-amine
CID 115809477
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 114856477
2-(2,3-difluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 115805148

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine?
The IUPAC name of 2-(2,3-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine (CID 79712624) is 2-(2,3-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine?
The canonical SMILES for 2-(2,3-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine is CNC(Cc1cccc(F)c1F)c1ccc(F)cn1.
What is the InChIKey of 2-(2,3-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine?
The InChIKey is DDKVNFLFFMQGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2/c1-18-13(12-6-5-10(15)8-19-12)7-9-3-2-4-11(16)14(9)17/h2-6,8,13,18H,7H2,1H3.
What are the key properties of 2-(2,3-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine?
2-(2,3-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine has a molecular weight of 266.27 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 79712624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).