1-[5-(aminomethyl)furan-2-yl]-3-phenylpropan-1-one

C14H15NO2 — CID 116590055

IUPAC1-[5-(aminomethyl)furan-2-yl]-3-phenylpropan-1-one
SMILESNCc1ccc(C(=O)CCc2ccccc2)o1
InChIInChI=1S/C14H15NO2/c15-10-12-7-9-14(17-12)13(16)8-6-11-4-2-1-3-5-11/h1-5,7,9H,6,8,10,15H2
InChIKeyHXZYEWQFYOIYSD-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.55
Rot. Bonds5

About 1-[5-(aminomethyl)furan-2-yl]-3-phenylpropan-1-one

1-[5-(aminomethyl)furan-2-yl]-3-phenylpropan-1-one (PubChem CID 116590055) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[5-(aminomethyl)furan-2-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[5-(aminomethyl)furan-2-yl]-3-phenylpropan-1-one
PubChem CID116590055
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1-[5-(aminomethyl)furan-2-yl]-3-phenylpropan-1-one
SMILESNCc1ccc(C(=O)CCc2ccccc2)o1
InChIInChI=1S/C14H15NO2/c15-10-12-7-9-14(17-12)13(16)8-6-11-4-2-1-3-5-11/h1-5,7,9H,6,8,10,15H2
InChIKeyHXZYEWQFYOIYSD-UHFFFAOYSA-N
XLogP2.55
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methylfuran-2-yl)-3-phenylpropan-1-one
CID 71336730
1-[4-(aminomethyl)phenyl]-3-phenylpropan-1-one
CID 116548233
1-[5-(aminomethyl)furan-2-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 116590101
1-[5-(aminomethyl)furan-2-yl]hex-4-yn-1-one
CID 116590203
1-[5-(aminomethyl)furan-2-yl]-2-(4-hydroxyphenyl)ethanone
CID 116590112
1-[5-[(3R)-3-amino-4-hydroxy-3-methylbutyl]furan-2-yl]-5-phenylpentan-1-one
CID 66672941
5-(4-phenylbutyl)furan-2-carboxylic acid
CID 86713049
1-(1,2-oxazol-5-yl)-3-phenylpropan-1-one
CID 67793619
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982
CID 11984203
CID 11984203
[5-(aminomethyl)furan-2-yl]-(1-benzofuran-2-yl)methanone
CID 114736959
1-(4-amino-3-fluorophenyl)-3-phenylpropan-1-one
CID 116547242

Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)furan-2-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[5-(aminomethyl)furan-2-yl]-3-phenylpropan-1-one (CID 116590055) is 1-[5-(aminomethyl)furan-2-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[5-(aminomethyl)furan-2-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[5-(aminomethyl)furan-2-yl]-3-phenylpropan-1-one is NCc1ccc(C(=O)CCc2ccccc2)o1.
What is the InChIKey of 1-[5-(aminomethyl)furan-2-yl]-3-phenylpropan-1-one?
The InChIKey is HXZYEWQFYOIYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c15-10-12-7-9-14(17-12)13(16)8-6-11-4-2-1-3-5-11/h1-5,7,9H,6,8,10,15H2.
What are the key properties of 1-[5-(aminomethyl)furan-2-yl]-3-phenylpropan-1-one?
1-[5-(aminomethyl)furan-2-yl]-3-phenylpropan-1-one has a molecular weight of 229.28 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)furan-2-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 116590055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).