N-methoxy-2,5,7-trimethyl-2,3-dihydro-1-benzofuran-3-amine

C12H17NO2 — CID 81480896

IUPACN-methoxy-2,5,7-trimethyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCONC1c2cc(C)cc(C)c2OC1C
InChIInChI=1S/C12H17NO2/c1-7-5-8(2)12-10(6-7)11(13-14-4)9(3)15-12/h5-6,9,11,13H,1-4H3
InChIKeyBLBFPAUKFDSUDC-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.28
Rot. Bonds2

About N-methoxy-2,5,7-trimethyl-2,3-dihydro-1-benzofuran-3-amine

N-methoxy-2,5,7-trimethyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 81480896) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-methoxy-2,5,7-trimethyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-methoxy-2,5,7-trimethyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID81480896
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-methoxy-2,5,7-trimethyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCONC1c2cc(C)cc(C)c2OC1C
InChIInChI=1S/C12H17NO2/c1-7-5-8(2)12-10(6-7)11(13-14-4)9(3)15-12/h5-6,9,11,13H,1-4H3
InChIKeyBLBFPAUKFDSUDC-UHFFFAOYSA-N
XLogP2.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-2,5,7-trimethyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-methoxy-2,5,7-trimethyl-2,3-dihydro-1-benzofuran-3-amine (CID 81480896) is N-methoxy-2,5,7-trimethyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-methoxy-2,5,7-trimethyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-methoxy-2,5,7-trimethyl-2,3-dihydro-1-benzofuran-3-amine is CONC1c2cc(C)cc(C)c2OC1C.
What is the InChIKey of N-methoxy-2,5,7-trimethyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is BLBFPAUKFDSUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-7-5-8(2)12-10(6-7)11(13-14-4)9(3)15-12/h5-6,9,11,13H,1-4H3.
What are the key properties of N-methoxy-2,5,7-trimethyl-2,3-dihydro-1-benzofuran-3-amine?
N-methoxy-2,5,7-trimethyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 207.27 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2,5,7-trimethyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 81480896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).