[5-(aminomethyl)furan-2-yl]-(4-propoxyphenyl)methanone

C15H17NO3 — CID 116590060

IUPAC[5-(aminomethyl)furan-2-yl]-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2ccc(CN)o2)cc1
InChIInChI=1S/C15H17NO3/c1-2-9-18-12-5-3-11(4-6-12)15(17)14-8-7-13(10-16)19-14/h3-8H,2,9-10,16H2,1H3
InChIKeyVKVXYEDJRURAGT-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.76
Rot. Bonds6

About [5-(aminomethyl)furan-2-yl]-(4-propoxyphenyl)methanone

[5-(aminomethyl)furan-2-yl]-(4-propoxyphenyl)methanone (PubChem CID 116590060) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is [5-(aminomethyl)furan-2-yl]-(4-propoxyphenyl)methanone.

Molecular Properties

Compound Name[5-(aminomethyl)furan-2-yl]-(4-propoxyphenyl)methanone
PubChem CID116590060
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name[5-(aminomethyl)furan-2-yl]-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2ccc(CN)o2)cc1
InChIInChI=1S/C15H17NO3/c1-2-9-18-12-5-3-11(4-6-12)15(17)14-8-7-13(10-16)19-14/h3-8H,2,9-10,16H2,1H3
InChIKeyVKVXYEDJRURAGT-UHFFFAOYSA-N
XLogP2.76
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)furan-2-yl]-(4-propoxyphenyl)methanone?
The IUPAC name of [5-(aminomethyl)furan-2-yl]-(4-propoxyphenyl)methanone (CID 116590060) is [5-(aminomethyl)furan-2-yl]-(4-propoxyphenyl)methanone.
What is the SMILES notation for [5-(aminomethyl)furan-2-yl]-(4-propoxyphenyl)methanone?
The canonical SMILES for [5-(aminomethyl)furan-2-yl]-(4-propoxyphenyl)methanone is CCCOc1ccc(C(=O)c2ccc(CN)o2)cc1.
What is the InChIKey of [5-(aminomethyl)furan-2-yl]-(4-propoxyphenyl)methanone?
The InChIKey is VKVXYEDJRURAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-2-9-18-12-5-3-11(4-6-12)15(17)14-8-7-13(10-16)19-14/h3-8H,2,9-10,16H2,1H3.
What are the key properties of [5-(aminomethyl)furan-2-yl]-(4-propoxyphenyl)methanone?
[5-(aminomethyl)furan-2-yl]-(4-propoxyphenyl)methanone has a molecular weight of 259.31 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)furan-2-yl]-(4-propoxyphenyl)methanone is sourced from PubChem (CID 116590060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).