1-[4-(aminomethyl)phenyl]-2-(furan-2-yl)ethanone

C13H13NO2 — CID 116548254

IUPAC1-[4-(aminomethyl)phenyl]-2-(furan-2-yl)ethanone
SMILESNCc1ccc(C(=O)Cc2ccco2)cc1
InChIInChI=1S/C13H13NO2/c14-9-10-3-5-11(6-4-10)13(15)8-12-2-1-7-16-12/h1-7H,8-9,14H2
InChIKeyXQVFLRAJPJBZAL-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.16
Rot. Bonds4

About 1-[4-(aminomethyl)phenyl]-2-(furan-2-yl)ethanone

1-[4-(aminomethyl)phenyl]-2-(furan-2-yl)ethanone (PubChem CID 116548254) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-2-(furan-2-yl)ethanone.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-2-(furan-2-yl)ethanone
PubChem CID116548254
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-[4-(aminomethyl)phenyl]-2-(furan-2-yl)ethanone
SMILESNCc1ccc(C(=O)Cc2ccco2)cc1
InChIInChI=1S/C13H13NO2/c14-9-10-3-5-11(6-4-10)13(15)8-12-2-1-7-16-12/h1-7H,8-9,14H2
InChIKeyXQVFLRAJPJBZAL-UHFFFAOYSA-N
XLogP2.16
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-2-(furan-2-yl)ethanone
CID 83172698
1-(3,4-dichlorophenyl)-2-(furan-2-yl)ethanone
CID 83172219
1-(4-bromo-3,5-dimethylphenyl)-2-(furan-2-yl)ethanone
CID 114329742
2-(furan-2-ylmethyl)prop-2-en-1-amine
CID 117266490
1-[4-(aminomethyl)phenyl]-2-(4-chlorophenyl)ethanone;hydrochloride
CID 53407120
1-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 118703223
1-[4-(aminomethyl)phenyl]-2-(3,5-dimethylphenyl)ethanone
CID 116548140
furan-2-ylmethanamine;methane
CID 20976999
1-[4-(aminomethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 116548236
2-(furan-2-yl)-1-thiophen-2-ylethanone
CID 83173067
1-(furan-2-yl)-3-(4-methylphenyl)propan-2-one
CID 83172579
1-(4-chlorophenyl)-3-(furan-2-yl)propan-2-one
CID 83172819

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-2-(furan-2-yl)ethanone?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-2-(furan-2-yl)ethanone (CID 116548254) is 1-[4-(aminomethyl)phenyl]-2-(furan-2-yl)ethanone.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-2-(furan-2-yl)ethanone?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-2-(furan-2-yl)ethanone is NCc1ccc(C(=O)Cc2ccco2)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-2-(furan-2-yl)ethanone?
The InChIKey is XQVFLRAJPJBZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c14-9-10-3-5-11(6-4-10)13(15)8-12-2-1-7-16-12/h1-7H,8-9,14H2.
What are the key properties of 1-[4-(aminomethyl)phenyl]-2-(furan-2-yl)ethanone?
1-[4-(aminomethyl)phenyl]-2-(furan-2-yl)ethanone has a molecular weight of 215.25 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-2-(furan-2-yl)ethanone is sourced from PubChem (CID 116548254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).