1-[5-(2,4-difluorophenyl)furan-2-yl]-N-methylpropan-1-amine

C14H15F2NO — CID 55097922

IUPAC1-[5-(2,4-difluorophenyl)furan-2-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C14H15F2NO/c1-3-12(17-2)14-7-6-13(18-14)10-5-4-9(15)8-11(10)16/h4-8,12,17H,3H2,1-2H3
InChIKeyHYLOOLQWLRCPLG-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.90
Rot. Bonds4

About 1-[5-(2,4-difluorophenyl)furan-2-yl]-N-methylpropan-1-amine

1-[5-(2,4-difluorophenyl)furan-2-yl]-N-methylpropan-1-amine (PubChem CID 55097922) has the molecular formula C14H15F2NO and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-[5-(2,4-difluorophenyl)furan-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(2,4-difluorophenyl)furan-2-yl]-N-methylpropan-1-amine
PubChem CID55097922
Molecular FormulaC14H15F2NO
Molecular Weight251.28 g/mol
Exact Mass251.11
IUPAC Name1-[5-(2,4-difluorophenyl)furan-2-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C14H15F2NO/c1-3-12(17-2)14-7-6-13(18-14)10-5-4-9(15)8-11(10)16/h4-8,12,17H,3H2,1-2H3
InChIKeyHYLOOLQWLRCPLG-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(5-chloro-2-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine
CID 62633115
1-[5-(2,4-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63084755
1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine
CID 62633284
1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine
CID 107577112
1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 107626833
1-[3-(2,4-difluorophenyl)phenyl]-N-methylpropan-1-amine
CID 61033126
1-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-N-methylpropan-1-amine
CID 62633275
1-[5-(2,5-difluorophenyl)furan-2-yl]propan-1-ol
CID 62633834
1-[5-(2-fluorophenyl)furan-2-yl]-N-propylpropan-1-amine
CID 62633103
1-(2,4-difluorophenyl)-N,3-dimethylpentan-1-amine
CID 63084219
1-[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]-N-propylpropan-1-amine
CID 107593416
1-[5-(3-iodo-4-methylphenyl)furan-2-yl]-N-methylpropan-1-amine
CID 114257852

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4-difluorophenyl)furan-2-yl]-N-methylpropan-1-amine?
The IUPAC name of 1-[5-(2,4-difluorophenyl)furan-2-yl]-N-methylpropan-1-amine (CID 55097922) is 1-[5-(2,4-difluorophenyl)furan-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[5-(2,4-difluorophenyl)furan-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[5-(2,4-difluorophenyl)furan-2-yl]-N-methylpropan-1-amine is CCC(NC)c1ccc(-c2ccc(F)cc2F)o1.
What is the InChIKey of 1-[5-(2,4-difluorophenyl)furan-2-yl]-N-methylpropan-1-amine?
The InChIKey is HYLOOLQWLRCPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO/c1-3-12(17-2)14-7-6-13(18-14)10-5-4-9(15)8-11(10)16/h4-8,12,17H,3H2,1-2H3.
What are the key properties of 1-[5-(2,4-difluorophenyl)furan-2-yl]-N-methylpropan-1-amine?
1-[5-(2,4-difluorophenyl)furan-2-yl]-N-methylpropan-1-amine has a molecular weight of 251.28 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4-difluorophenyl)furan-2-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 55097922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).