1-(2,3-difluorophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine

C14H15F2NO — CID 113343786

IUPAC1-(2,3-difluorophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
SMILESCc1ccc(CNC(C)c2cccc(F)c2F)o1
InChIInChI=1S/C14H15F2NO/c1-9-6-7-11(18-9)8-17-10(2)12-4-3-5-13(15)14(12)16/h3-7,10,17H,8H2,1-2H3
InChIKeyCEITWGFSLDQTMR-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.72
Rot. Bonds4

About 1-(2,3-difluorophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine

1-(2,3-difluorophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine (PubChem CID 113343786) has the molecular formula C14H15F2NO and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
PubChem CID113343786
Molecular FormulaC14H15F2NO
Molecular Weight251.28 g/mol
Exact Mass251.11
IUPAC Name1-(2,3-difluorophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
SMILESCc1ccc(CNC(C)c2cccc(F)c2F)o1
InChIInChI=1S/C14H15F2NO/c1-9-6-7-11(18-9)8-17-10(2)12-4-3-5-13(15)14(12)16/h3-7,10,17H,8H2,1-2H3
InChIKeyCEITWGFSLDQTMR-UHFFFAOYSA-N
XLogP3.72
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-difluorophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine 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-bromophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 43223395
1-(2,3-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 103878337
N-[(5-methylfuran-2-yl)methyl]-1-(2-nitrophenyl)ethanamine
CID 55081882
N-[(5-methylfuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 55081693
(1R)-1-(furan-2-yl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 81402622
[(1R)-1-(2,3-difluorophenyl)ethyl]hydrazine
CID 124510602
1-(5-fluoro-2-pyridinyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 83119707
1-(2,3-difluorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103915820
(2S)-N-[(5-methylfuran-2-yl)methyl]-4-phenylbutan-2-amine
CID 40725603
1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 103924687
(2S)-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-2-amine
CID 781905
2,3-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 61077155

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine (CID 113343786) is 1-(2,3-difluorophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine is Cc1ccc(CNC(C)c2cccc(F)c2F)o1.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The InChIKey is CEITWGFSLDQTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO/c1-9-6-7-11(18-9)8-17-10(2)12-4-3-5-13(15)14(12)16/h3-7,10,17H,8H2,1-2H3.
What are the key properties of 1-(2,3-difluorophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine?
1-(2,3-difluorophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine has a molecular weight of 251.28 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 113343786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).