N-(2-methylpropoxy)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C12H19NO2 — CID 82712185

IUPACN-(2-methylpropoxy)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCC(C)CONC1CCCc2occc21
InChIInChI=1S/C12H19NO2/c1-9(2)8-15-13-11-4-3-5-12-10(11)6-7-14-12/h6-7,9,11,13H,3-5,8H2,1-2H3
InChIKeyGICHLSKTBHNAEK-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.83
Rot. Bonds4

About N-(2-methylpropoxy)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-(2-methylpropoxy)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 82712185) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(2-methylpropoxy)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-(2-methylpropoxy)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID82712185
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-(2-methylpropoxy)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCC(C)CONC1CCCc2occc21
InChIInChI=1S/C12H19NO2/c1-9(2)8-15-13-11-4-3-5-12-10(11)6-7-14-12/h6-7,9,11,13H,3-5,8H2,1-2H3
InChIKeyGICHLSKTBHNAEK-UHFFFAOYSA-N
XLogP2.83
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.83
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-(2-methylpropoxy)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-(2-methylpropoxy)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 82712185) is N-(2-methylpropoxy)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-(2-methylpropoxy)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-(2-methylpropoxy)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is CC(C)CONC1CCCc2occc21.
What is the InChIKey of N-(2-methylpropoxy)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is GICHLSKTBHNAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9(2)8-15-13-11-4-3-5-12-10(11)6-7-14-12/h6-7,9,11,13H,3-5,8H2,1-2H3.
What are the key properties of N-(2-methylpropoxy)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-(2-methylpropoxy)-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 209.29 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 82712185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).