1-(2-amino-4-methoxyphenyl)-2-(furan-3-yl)ethanone

C13H13NO3 — CID 116602455

IUPAC1-(2-amino-4-methoxyphenyl)-2-(furan-3-yl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccoc2)c(N)c1
InChIInChI=1S/C13H13NO3/c1-16-10-2-3-11(12(14)7-10)13(15)6-9-4-5-17-8-9/h2-5,7-8H,6,14H2,1H3
InChIKeyAHPJLZBBQNBLBS-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.30
Rot. Bonds4

About 1-(2-amino-4-methoxyphenyl)-2-(furan-3-yl)ethanone

1-(2-amino-4-methoxyphenyl)-2-(furan-3-yl)ethanone (PubChem CID 116602455) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-(2-amino-4-methoxyphenyl)-2-(furan-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-amino-4-methoxyphenyl)-2-(furan-3-yl)ethanone
PubChem CID116602455
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name1-(2-amino-4-methoxyphenyl)-2-(furan-3-yl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccoc2)c(N)c1
InChIInChI=1S/C13H13NO3/c1-16-10-2-3-11(12(14)7-10)13(15)6-9-4-5-17-8-9/h2-5,7-8H,6,14H2,1H3
InChIKeyAHPJLZBBQNBLBS-UHFFFAOYSA-N
XLogP2.30
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-5-methoxyphenyl)-2-(furan-3-yl)ethanone
CID 116602678
1-(2-amino-4-methoxyphenyl)-2-(2-amino-4-pyridinyl)ethanone
CID 116602379
2-amino-1-(2-amino-4-methoxyphenyl)ethanone
CID 105438694
2-[2-(furan-3-yl)ethyl]-4-methoxybenzoic acid
CID 167607988
1-(2-amino-5-fluorophenyl)-2-(furan-3-yl)ethanone
CID 83173098
1-(2,5-dimethylfuran-3-yl)-2-(furan-3-yl)ethanone
CID 115795910
1-(2-amino-4-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone
CID 116602446
1-(furan-3-yl)-2-(4-methoxyphenyl)ethanone
CID 61055091
1-(2-aminophenyl)-2-(4-methoxyphenyl)ethanone
CID 15573867
1-(2-chloro-4-methylphenyl)-2-(furan-3-yl)ethanone
CID 106865128
1-(4-fluoro-2-methylphenyl)-2-(furan-3-yl)ethanone
CID 83171971
2-amino-N-hydroxy-4-methoxybenzamide
CID 115413301

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methoxyphenyl)-2-(furan-3-yl)ethanone?
The IUPAC name of 1-(2-amino-4-methoxyphenyl)-2-(furan-3-yl)ethanone (CID 116602455) is 1-(2-amino-4-methoxyphenyl)-2-(furan-3-yl)ethanone.
What is the SMILES notation for 1-(2-amino-4-methoxyphenyl)-2-(furan-3-yl)ethanone?
The canonical SMILES for 1-(2-amino-4-methoxyphenyl)-2-(furan-3-yl)ethanone is COc1ccc(C(=O)Cc2ccoc2)c(N)c1.
What is the InChIKey of 1-(2-amino-4-methoxyphenyl)-2-(furan-3-yl)ethanone?
The InChIKey is AHPJLZBBQNBLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-16-10-2-3-11(12(14)7-10)13(15)6-9-4-5-17-8-9/h2-5,7-8H,6,14H2,1H3.
What are the key properties of 1-(2-amino-4-methoxyphenyl)-2-(furan-3-yl)ethanone?
1-(2-amino-4-methoxyphenyl)-2-(furan-3-yl)ethanone has a molecular weight of 231.25 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methoxyphenyl)-2-(furan-3-yl)ethanone is sourced from PubChem (CID 116602455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).