(4-amino-3-methoxyphenyl)-(5-methylfuran-2-yl)methanone

C13H13NO3 — CID 104785039

IUPAC(4-amino-3-methoxyphenyl)-(5-methylfuran-2-yl)methanone
SMILESCOc1cc(C(=O)c2ccc(C)o2)ccc1N
InChIInChI=1S/C13H13NO3/c1-8-3-6-11(17-8)13(15)9-4-5-10(14)12(7-9)16-2/h3-7H,14H2,1-2H3
InChIKeyDABDPSNZIHPIAB-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.41
Rot. Bonds3

About (4-amino-3-methoxyphenyl)-(5-methylfuran-2-yl)methanone

(4-amino-3-methoxyphenyl)-(5-methylfuran-2-yl)methanone (PubChem CID 104785039) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is (4-amino-3-methoxyphenyl)-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-methoxyphenyl)-(5-methylfuran-2-yl)methanone
PubChem CID104785039
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name(4-amino-3-methoxyphenyl)-(5-methylfuran-2-yl)methanone
SMILESCOc1cc(C(=O)c2ccc(C)o2)ccc1N
InChIInChI=1S/C13H13NO3/c1-8-3-6-11(17-8)13(15)9-4-5-10(14)12(7-9)16-2/h3-7H,14H2,1-2H3
InChIKeyDABDPSNZIHPIAB-UHFFFAOYSA-N
XLogP2.41
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.41
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

(4-amino-3-methoxyphenyl)-(5-bromofuran-2-yl)methanone
CID 104785062
(2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methanone
CID 43626038
methyl 4-amino-3-methoxybenzoate
CID 602411
4-amino-3-methoxybenzoic acid;ethane
CID 91282219
(5-fluoro-2-methoxyphenyl)-(5-methylfuran-2-yl)methanone
CID 43463289
(5-ethylfuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 81283012
(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methanone
CID 43463771
(4-amino-3-methoxyphenyl)-(2,5-dichloro-4-methoxyphenyl)methanone
CID 104785092
N-(3-amino-4-methoxyphenyl)-5-methylfuran-2-carboxamide
CID 43599890
(4,5-dimethylfuran-2-yl)-(3-methoxy-4-methylphenyl)methanone
CID 114248871
(3-bromo-4-fluorophenyl)-(5-methylfuran-2-yl)methanone
CID 79735004
[5-(chloromethyl)furan-2-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 82092643

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methoxyphenyl)-(5-methylfuran-2-yl)methanone?
The IUPAC name of (4-amino-3-methoxyphenyl)-(5-methylfuran-2-yl)methanone (CID 104785039) is (4-amino-3-methoxyphenyl)-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for (4-amino-3-methoxyphenyl)-(5-methylfuran-2-yl)methanone?
The canonical SMILES for (4-amino-3-methoxyphenyl)-(5-methylfuran-2-yl)methanone is COc1cc(C(=O)c2ccc(C)o2)ccc1N.
What is the InChIKey of (4-amino-3-methoxyphenyl)-(5-methylfuran-2-yl)methanone?
The InChIKey is DABDPSNZIHPIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-8-3-6-11(17-8)13(15)9-4-5-10(14)12(7-9)16-2/h3-7H,14H2,1-2H3.
What are the key properties of (4-amino-3-methoxyphenyl)-(5-methylfuran-2-yl)methanone?
(4-amino-3-methoxyphenyl)-(5-methylfuran-2-yl)methanone has a molecular weight of 231.25 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methoxyphenyl)-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 104785039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).