1-[5-(3-fluoro-5-methylphenyl)furan-2-yl]propan-1-amine

C14H16FNO — CID 79050083

IUPAC1-[5-(3-fluoro-5-methylphenyl)furan-2-yl]propan-1-amine
SMILESCCC(N)c1ccc(-c2cc(C)cc(F)c2)o1
InChIInChI=1S/C14H16FNO/c1-3-12(16)14-5-4-13(17-14)10-6-9(2)7-11(15)8-10/h4-8,12H,3,16H2,1-2H3
InChIKeyJNMCMKYZSQPLNF-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.80
Rot. Bonds3

About 1-[5-(3-fluoro-5-methylphenyl)furan-2-yl]propan-1-amine

1-[5-(3-fluoro-5-methylphenyl)furan-2-yl]propan-1-amine (PubChem CID 79050083) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-[5-(3-fluoro-5-methylphenyl)furan-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(3-fluoro-5-methylphenyl)furan-2-yl]propan-1-amine
PubChem CID79050083
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name1-[5-(3-fluoro-5-methylphenyl)furan-2-yl]propan-1-amine
SMILESCCC(N)c1ccc(-c2cc(C)cc(F)c2)o1
InChIInChI=1S/C14H16FNO/c1-3-12(16)14-5-4-13(17-14)10-6-9(2)7-11(15)8-10/h4-8,12H,3,16H2,1-2H3
InChIKeyJNMCMKYZSQPLNF-UHFFFAOYSA-N
XLogP3.80
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluoro-5-methylphenyl)furan-2-yl]propan-1-amine?
The IUPAC name of 1-[5-(3-fluoro-5-methylphenyl)furan-2-yl]propan-1-amine (CID 79050083) is 1-[5-(3-fluoro-5-methylphenyl)furan-2-yl]propan-1-amine.
What is the SMILES notation for 1-[5-(3-fluoro-5-methylphenyl)furan-2-yl]propan-1-amine?
The canonical SMILES for 1-[5-(3-fluoro-5-methylphenyl)furan-2-yl]propan-1-amine is CCC(N)c1ccc(-c2cc(C)cc(F)c2)o1.
What is the InChIKey of 1-[5-(3-fluoro-5-methylphenyl)furan-2-yl]propan-1-amine?
The InChIKey is JNMCMKYZSQPLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-3-12(16)14-5-4-13(17-14)10-6-9(2)7-11(15)8-10/h4-8,12H,3,16H2,1-2H3.
What are the key properties of 1-[5-(3-fluoro-5-methylphenyl)furan-2-yl]propan-1-amine?
1-[5-(3-fluoro-5-methylphenyl)furan-2-yl]propan-1-amine has a molecular weight of 233.29 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluoro-5-methylphenyl)furan-2-yl]propan-1-amine is sourced from PubChem (CID 79050083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).