N,5-dimethoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine

C11H15NO3 — CID 81482055

IUPACN,5-dimethoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCONC1c2cc(OC)ccc2OC1C
InChIInChI=1S/C11H15NO3/c1-7-11(12-14-3)9-6-8(13-2)4-5-10(9)15-7/h4-7,11-12H,1-3H3
InChIKeyFUUCJHVPSHQRQI-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.67
Rot. Bonds3

About N,5-dimethoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine

N,5-dimethoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 81482055) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is N,5-dimethoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN,5-dimethoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID81482055
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC NameN,5-dimethoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCONC1c2cc(OC)ccc2OC1C
InChIInChI=1S/C11H15NO3/c1-7-11(12-14-3)9-6-8(13-2)4-5-10(9)15-7/h4-7,11-12H,1-3H3
InChIKeyFUUCJHVPSHQRQI-UHFFFAOYSA-N
XLogP1.67
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine
CID 81482112
5-methoxy-3-methyl-2,3-dihydro-1-benzofuran
CID 102492939
7-fluoro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 81480868
6,7-dichloro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 81481927
N-methoxy-2,5,7-trimethyl-2,3-dihydro-1-benzofuran-3-amine
CID 81480896
2-ethyl-N-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 81482053
6-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715458
(4S)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 103277996
(4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 103277997
6-methoxy-N-methyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114712931
6-methoxy-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromen-4-amine
CID 82720276
2-cyclopropyl-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712990

Frequently Asked Questions

What is the IUPAC name of N,5-dimethoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N,5-dimethoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine (CID 81482055) is N,5-dimethoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N,5-dimethoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N,5-dimethoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine is CONC1c2cc(OC)ccc2OC1C.
What is the InChIKey of N,5-dimethoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is FUUCJHVPSHQRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7-11(12-14-3)9-6-8(13-2)4-5-10(9)15-7/h4-7,11-12H,1-3H3.
What are the key properties of N,5-dimethoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
N,5-dimethoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 209.24 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 81482055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).