(3-amino-2-methoxyphenyl)-(4,5-dimethylfuran-2-yl)methanone

C14H15NO3 — CID 114249173

IUPAC(3-amino-2-methoxyphenyl)-(4,5-dimethylfuran-2-yl)methanone
SMILESCOc1c(N)cccc1C(=O)c1cc(C)c(C)o1
InChIInChI=1S/C14H15NO3/c1-8-7-12(18-9(8)2)13(16)10-5-4-6-11(15)14(10)17-3/h4-7H,15H2,1-3H3
InChIKeyRQKRBVNCNHYRFC-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.72
Rot. Bonds3

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

(3-amino-2-methoxyphenyl)-(4,5-dimethylfuran-2-yl)methanone (PubChem CID 114249173) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is (3-amino-2-methoxyphenyl)-(4,5-dimethylfuran-2-yl)methanone.

Molecular Properties

Compound Name(3-amino-2-methoxyphenyl)-(4,5-dimethylfuran-2-yl)methanone
PubChem CID114249173
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name(3-amino-2-methoxyphenyl)-(4,5-dimethylfuran-2-yl)methanone
SMILESCOc1c(N)cccc1C(=O)c1cc(C)c(C)o1
InChIInChI=1S/C14H15NO3/c1-8-7-12(18-9(8)2)13(16)10-5-4-6-11(15)14(10)17-3/h4-7H,15H2,1-3H3
InChIKeyRQKRBVNCNHYRFC-UHFFFAOYSA-N
XLogP2.72
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-amino-2-methoxyphenyl)-(4,5-dimethylfuran-2-yl)methanone?
The IUPAC name of (3-amino-2-methoxyphenyl)-(4,5-dimethylfuran-2-yl)methanone (CID 114249173) is (3-amino-2-methoxyphenyl)-(4,5-dimethylfuran-2-yl)methanone.
What is the SMILES notation for (3-amino-2-methoxyphenyl)-(4,5-dimethylfuran-2-yl)methanone?
The canonical SMILES for (3-amino-2-methoxyphenyl)-(4,5-dimethylfuran-2-yl)methanone is COc1c(N)cccc1C(=O)c1cc(C)c(C)o1.
What is the InChIKey of (3-amino-2-methoxyphenyl)-(4,5-dimethylfuran-2-yl)methanone?
The InChIKey is RQKRBVNCNHYRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-8-7-12(18-9(8)2)13(16)10-5-4-6-11(15)14(10)17-3/h4-7H,15H2,1-3H3.
What are the key properties of (3-amino-2-methoxyphenyl)-(4,5-dimethylfuran-2-yl)methanone?
(3-amino-2-methoxyphenyl)-(4,5-dimethylfuran-2-yl)methanone has a molecular weight of 245.28 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-methoxyphenyl)-(4,5-dimethylfuran-2-yl)methanone is sourced from PubChem (CID 114249173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).