[4-(aminomethyl)phenyl]-(2,3-dihydrofuran-5-yl)methanone

C12H13NO2 — CID 102652392

IUPAC[4-(aminomethyl)phenyl]-(2,3-dihydrofuran-5-yl)methanone
SMILESNCc1ccc(C(=O)C2=CCCO2)cc1
InChIInChI=1S/C12H13NO2/c13-8-9-3-5-10(6-4-9)12(14)11-2-1-7-15-11/h2-6H,1,7-8,13H2
InChIKeyWKOANPGLJJOWAL-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.63
Rot. Bonds3

About [4-(aminomethyl)phenyl]-(2,3-dihydrofuran-5-yl)methanone

[4-(aminomethyl)phenyl]-(2,3-dihydrofuran-5-yl)methanone (PubChem CID 102652392) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(2,3-dihydrofuran-5-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(2,3-dihydrofuran-5-yl)methanone
PubChem CID102652392
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name[4-(aminomethyl)phenyl]-(2,3-dihydrofuran-5-yl)methanone
SMILESNCc1ccc(C(=O)C2=CCCO2)cc1
InChIInChI=1S/C12H13NO2/c13-8-9-3-5-10(6-4-9)12(14)11-2-1-7-15-11/h2-6H,1,7-8,13H2
InChIKeyWKOANPGLJJOWAL-UHFFFAOYSA-N
XLogP1.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(2,3-dihydrofuran-5-yl)methanone?
The IUPAC name of [4-(aminomethyl)phenyl]-(2,3-dihydrofuran-5-yl)methanone (CID 102652392) is [4-(aminomethyl)phenyl]-(2,3-dihydrofuran-5-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(2,3-dihydrofuran-5-yl)methanone?
The canonical SMILES for [4-(aminomethyl)phenyl]-(2,3-dihydrofuran-5-yl)methanone is NCc1ccc(C(=O)C2=CCCO2)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]-(2,3-dihydrofuran-5-yl)methanone?
The InChIKey is WKOANPGLJJOWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c13-8-9-3-5-10(6-4-9)12(14)11-2-1-7-15-11/h2-6H,1,7-8,13H2.
What are the key properties of [4-(aminomethyl)phenyl]-(2,3-dihydrofuran-5-yl)methanone?
[4-(aminomethyl)phenyl]-(2,3-dihydrofuran-5-yl)methanone has a molecular weight of 203.24 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-(2,3-dihydrofuran-5-yl)methanone is sourced from PubChem (CID 102652392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).