1-[5-(2,3-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine

C14H15F2NO — CID 55181893

IUPAC1-[5-(2,3-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc(-c2cccc(F)c2F)o1
InChIInChI=1S/C14H15F2NO/c1-9(17-2)8-10-6-7-13(18-10)11-4-3-5-12(15)14(11)16/h3-7,9,17H,8H2,1-2H3
InChIKeyUBBAJYSBVKVCTJ-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.38
Rot. Bonds4

About 1-[5-(2,3-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine

1-[5-(2,3-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine (PubChem CID 55181893) has the molecular formula C14H15F2NO and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-[5-(2,3-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(2,3-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine
PubChem CID55181893
Molecular FormulaC14H15F2NO
Molecular Weight251.28 g/mol
Exact Mass251.11
IUPAC Name1-[5-(2,3-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc(-c2cccc(F)c2F)o1
InChIInChI=1S/C14H15F2NO/c1-9(17-2)8-10-6-7-13(18-10)11-4-3-5-12(15)14(11)16/h3-7,9,17H,8H2,1-2H3
InChIKeyUBBAJYSBVKVCTJ-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[5-(2,3-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-(2,3-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine (CID 55181893) is 1-[5-(2,3-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-(2,3-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-(2,3-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine is CNC(C)Cc1ccc(-c2cccc(F)c2F)o1.
What is the InChIKey of 1-[5-(2,3-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine?
The InChIKey is UBBAJYSBVKVCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO/c1-9(17-2)8-10-6-7-13(18-10)11-4-3-5-12(15)14(11)16/h3-7,9,17H,8H2,1-2H3.
What are the key properties of 1-[5-(2,3-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine?
1-[5-(2,3-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine has a molecular weight of 251.28 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 55181893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).