1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylhexan-1-amine

C16H25NO — CID 55145403

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylhexan-1-amine
SMILESCCCCCC(NCC)c1ccc2c(c1)COC2
InChIInChI=1S/C16H25NO/c1-3-5-6-7-16(17-4-2)13-8-9-14-11-18-12-15(14)10-13/h8-10,16-17H,3-7,11-12H2,1-2H3
InChIKeyVBZUEMIRVCCBSZ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.95
Rot. Bonds7

About 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylhexan-1-amine

1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylhexan-1-amine (PubChem CID 55145403) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylhexan-1-amine.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylhexan-1-amine
PubChem CID55145403
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylhexan-1-amine
SMILESCCCCCC(NCC)c1ccc2c(c1)COC2
InChIInChI=1S/C16H25NO/c1-3-5-6-7-16(17-4-2)13-8-9-14-11-18-12-15(14)10-13/h8-10,16-17H,3-7,11-12H2,1-2H3
InChIKeyVBZUEMIRVCCBSZ-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylhexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylhexan-1-amine?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylhexan-1-amine (CID 55145403) is 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylhexan-1-amine.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylhexan-1-amine?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylhexan-1-amine is CCCCCC(NCC)c1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylhexan-1-amine?
The InChIKey is VBZUEMIRVCCBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-5-6-7-16(17-4-2)13-8-9-14-11-18-12-15(14)10-13/h8-10,16-17H,3-7,11-12H2,1-2H3.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylhexan-1-amine?
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylhexan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylhexan-1-amine is sourced from PubChem (CID 55145403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).