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

C15H17NO2 — CID 82085122

IUPAC[5-(aminomethyl)furan-2-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)c2ccc(CN)o2)cc1
InChIInChI=1S/C15H17NO2/c1-10(2)11-3-5-12(6-4-11)15(17)14-8-7-13(9-16)18-14/h3-8,10H,9,16H2,1-2H3
InChIKeyIKZIXIMPCSLURC-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.09
Rot. Bonds4

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

[5-(aminomethyl)furan-2-yl]-(4-propan-2-ylphenyl)methanone (PubChem CID 82085122) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is [5-(aminomethyl)furan-2-yl]-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[5-(aminomethyl)furan-2-yl]-(4-propan-2-ylphenyl)methanone
PubChem CID82085122
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name[5-(aminomethyl)furan-2-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)c2ccc(CN)o2)cc1
InChIInChI=1S/C15H17NO2/c1-10(2)11-3-5-12(6-4-11)15(17)14-8-7-13(9-16)18-14/h3-8,10H,9,16H2,1-2H3
InChIKeyIKZIXIMPCSLURC-UHFFFAOYSA-N
XLogP3.09
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)furan-2-yl]-(4-propan-2-ylphenyl)methanone?
The IUPAC name of [5-(aminomethyl)furan-2-yl]-(4-propan-2-ylphenyl)methanone (CID 82085122) is [5-(aminomethyl)furan-2-yl]-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for [5-(aminomethyl)furan-2-yl]-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for [5-(aminomethyl)furan-2-yl]-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)c2ccc(CN)o2)cc1.
What is the InChIKey of [5-(aminomethyl)furan-2-yl]-(4-propan-2-ylphenyl)methanone?
The InChIKey is IKZIXIMPCSLURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-10(2)11-3-5-12(6-4-11)15(17)14-8-7-13(9-16)18-14/h3-8,10H,9,16H2,1-2H3.
What are the key properties of [5-(aminomethyl)furan-2-yl]-(4-propan-2-ylphenyl)methanone?
[5-(aminomethyl)furan-2-yl]-(4-propan-2-ylphenyl)methanone has a molecular weight of 243.31 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)furan-2-yl]-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 82085122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).