1-(2,6-difluorophenyl)-2-(furan-3-yl)-N-methylethanamine

C13H13F2NO — CID 83183458

IUPAC1-(2,6-difluorophenyl)-2-(furan-3-yl)-N-methylethanamine
SMILESCNC(Cc1ccoc1)c1c(F)cccc1F
InChIInChI=1S/C13H13F2NO/c1-16-12(7-9-5-6-17-8-9)13-10(14)3-2-4-11(13)15/h2-6,8,12,16H,7H2,1H3
InChIKeyDRZAJNRPFKPGBG-UHFFFAOYSA-N
MW237.25 g/mol
LogP3.06
Rot. Bonds4

About 1-(2,6-difluorophenyl)-2-(furan-3-yl)-N-methylethanamine

1-(2,6-difluorophenyl)-2-(furan-3-yl)-N-methylethanamine (PubChem CID 83183458) has the molecular formula C13H13F2NO and a molecular weight of 237.25 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-(furan-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-(furan-3-yl)-N-methylethanamine
PubChem CID83183458
Molecular FormulaC13H13F2NO
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name1-(2,6-difluorophenyl)-2-(furan-3-yl)-N-methylethanamine
SMILESCNC(Cc1ccoc1)c1c(F)cccc1F
InChIInChI=1S/C13H13F2NO/c1-16-12(7-9-5-6-17-8-9)13-10(14)3-2-4-11(13)15/h2-6,8,12,16H,7H2,1H3
InChIKeyDRZAJNRPFKPGBG-UHFFFAOYSA-N
XLogP3.06
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,6-difluorophenyl)-2-(furan-3-yl)-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

1-(2,6-difluorophenyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 83182160
1-(4-fluorophenyl)-2-(furan-3-yl)-N-methylethanamine
CID 83176188
1-(2,3-difluorophenyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 105029849
N-[1-(2-fluoro-6-methoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83182367
N-ethyl-1-(2-fluorophenyl)-2-(furan-3-yl)ethanamine
CID 83175625
1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)-N-methylethanamine
CID 83183465
1-(2,6-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 61063803
[1-(2-chloro-3-fluorophenyl)-2-(furan-3-yl)ethyl]hydrazine
CID 105331795
1-(2,6-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 79516326
2-(furan-3-yl)-N-methyl-1-quinolin-8-ylethanamine
CID 105177547
2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
CID 61079857
2-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
CID 64561397

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-(furan-3-yl)-N-methylethanamine?
The IUPAC name of 1-(2,6-difluorophenyl)-2-(furan-3-yl)-N-methylethanamine (CID 83183458) is 1-(2,6-difluorophenyl)-2-(furan-3-yl)-N-methylethanamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-(furan-3-yl)-N-methylethanamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-(furan-3-yl)-N-methylethanamine is CNC(Cc1ccoc1)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-(furan-3-yl)-N-methylethanamine?
The InChIKey is DRZAJNRPFKPGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO/c1-16-12(7-9-5-6-17-8-9)13-10(14)3-2-4-11(13)15/h2-6,8,12,16H,7H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-(furan-3-yl)-N-methylethanamine?
1-(2,6-difluorophenyl)-2-(furan-3-yl)-N-methylethanamine has a molecular weight of 237.25 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-(furan-3-yl)-N-methylethanamine is sourced from PubChem (CID 83183458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).