2-methyl-N-[2-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]ethyl]propan-1-amine

C17H27NO2 — CID 65303572

IUPAC2-methyl-N-[2-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]ethyl]propan-1-amine
SMILESCC(C)CNCCOCCc1ccc2c(c1)CC(C)O2
InChIInChI=1S/C17H27NO2/c1-13(2)12-18-7-9-19-8-6-15-4-5-17-16(11-15)10-14(3)20-17/h4-5,11,13-14,18H,6-10,12H2,1-3H3
InChIKeyOVYAUTSSJBNDRT-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.81
Rot. Bonds8

About 2-methyl-N-[2-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]ethyl]propan-1-amine

2-methyl-N-[2-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]ethyl]propan-1-amine (PubChem CID 65303572) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]ethyl]propan-1-amine
PubChem CID65303572
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-methyl-N-[2-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]ethyl]propan-1-amine
SMILESCC(C)CNCCOCCc1ccc2c(c1)CC(C)O2
InChIInChI=1S/C17H27NO2/c1-13(2)12-18-7-9-19-8-6-15-4-5-17-16(11-15)10-14(3)20-17/h4-5,11,13-14,18H,6-10,12H2,1-3H3
InChIKeyOVYAUTSSJBNDRT-UHFFFAOYSA-N
XLogP2.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]ethyl]propan-1-amine (CID 65303572) is 2-methyl-N-[2-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]ethyl]propan-1-amine is CC(C)CNCCOCCc1ccc2c(c1)CC(C)O2.
What is the InChIKey of 2-methyl-N-[2-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]ethyl]propan-1-amine?
The InChIKey is OVYAUTSSJBNDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(2)12-18-7-9-19-8-6-15-4-5-17-16(11-15)10-14(3)20-17/h4-5,11,13-14,18H,6-10,12H2,1-3H3.
What are the key properties of 2-methyl-N-[2-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]ethyl]propan-1-amine?
2-methyl-N-[2-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]ethyl]propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]ethyl]propan-1-amine is sourced from PubChem (CID 65303572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).