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

C13H13F2NO — CID 55097732

IUPAC1-[5-(2,3-difluorophenyl)furan-2-yl]propan-1-amine
SMILESCCC(N)c1ccc(-c2cccc(F)c2F)o1
InChIInChI=1S/C13H13F2NO/c1-2-10(16)12-7-6-11(17-12)8-4-3-5-9(14)13(8)15/h3-7,10H,2,16H2,1H3
InChIKeyNGZCFWUGGUCSPZ-UHFFFAOYSA-N
MW237.25 g/mol
LogP3.63
Rot. Bonds3

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

1-[5-(2,3-difluorophenyl)furan-2-yl]propan-1-amine (PubChem CID 55097732) has the molecular formula C13H13F2NO and a molecular weight of 237.25 g/mol. Its IUPAC name is 1-[5-(2,3-difluorophenyl)furan-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(2,3-difluorophenyl)furan-2-yl]propan-1-amine
PubChem CID55097732
Molecular FormulaC13H13F2NO
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name1-[5-(2,3-difluorophenyl)furan-2-yl]propan-1-amine
SMILESCCC(N)c1ccc(-c2cccc(F)c2F)o1
InChIInChI=1S/C13H13F2NO/c1-2-10(16)12-7-6-11(17-12)8-4-3-5-9(14)13(8)15/h3-7,10H,2,16H2,1H3
InChIKeyNGZCFWUGGUCSPZ-UHFFFAOYSA-N
XLogP3.63
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2,3-difluorophenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 62633461
2-(2,3-difluorophenyl)-5-methylfuran
CID 123606724
1-[5-[2-(methoxymethyl)phenyl]furan-2-yl]propan-1-amine
CID 62633129
1-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 55100160
1-[5-(3-bromo-4-fluorophenyl)furan-2-yl]propan-1-amine
CID 104780350
1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]propan-1-amine
CID 62632947
1-[5-(2,3-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 55181893
1-[5-(3-fluoro-5-methylphenyl)furan-2-yl]propan-1-amine
CID 79050083
1-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine
CID 114058402
2-(1-aminopropyl)-6-fluoroaniline
CID 55282936
1-[5-(4-iodophenyl)furan-2-yl]propan-1-amine
CID 62632923
1-[5-(2-fluorophenyl)furan-2-yl]-N-propylpropan-1-amine
CID 62633103

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-difluorophenyl)furan-2-yl]propan-1-amine?
The IUPAC name of 1-[5-(2,3-difluorophenyl)furan-2-yl]propan-1-amine (CID 55097732) is 1-[5-(2,3-difluorophenyl)furan-2-yl]propan-1-amine.
What is the SMILES notation for 1-[5-(2,3-difluorophenyl)furan-2-yl]propan-1-amine?
The canonical SMILES for 1-[5-(2,3-difluorophenyl)furan-2-yl]propan-1-amine is CCC(N)c1ccc(-c2cccc(F)c2F)o1.
What is the InChIKey of 1-[5-(2,3-difluorophenyl)furan-2-yl]propan-1-amine?
The InChIKey is NGZCFWUGGUCSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO/c1-2-10(16)12-7-6-11(17-12)8-4-3-5-9(14)13(8)15/h3-7,10H,2,16H2,1H3.
What are the key properties of 1-[5-(2,3-difluorophenyl)furan-2-yl]propan-1-amine?
1-[5-(2,3-difluorophenyl)furan-2-yl]propan-1-amine has a molecular weight of 237.25 g/mol, XLogP of 3.63, 3 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]propan-1-amine is sourced from PubChem (CID 55097732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).