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

C16H25NO — CID 63020921

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)octan-1-amine
SMILESCCCCCCCC(N)c1ccc2c(c1)COC2
InChIInChI=1S/C16H25NO/c1-2-3-4-5-6-7-16(17)13-8-9-14-11-18-12-15(14)10-13/h8-10,16H,2-7,11-12,17H2,1H3
InChIKeyOSSGISVEXJRKAH-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.08
Rot. Bonds7

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

1-(1,3-dihydro-2-benzofuran-5-yl)octan-1-amine (PubChem CID 63020921) 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)octan-1-amine.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)octan-1-amine
PubChem CID63020921
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)octan-1-amine
SMILESCCCCCCCC(N)c1ccc2c(c1)COC2
InChIInChI=1S/C16H25NO/c1-2-3-4-5-6-7-16(17)13-8-9-14-11-18-12-15(14)10-13/h8-10,16H,2-7,11-12,17H2,1H3
InChIKeyOSSGISVEXJRKAH-UHFFFAOYSA-N
XLogP4.08
TPSA35.25 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 ≤ 54.08
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)octan-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

Related Compounds

1-(1,3-dihydro-2-benzofuran-5-yl)oct-7-en-1-amine
CID 107011642
1-(1,3-dihydro-2-benzofuran-5-yl)-4-methylsulfonylbutan-1-amine
CID 115820724
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylhexan-1-amine
CID 55145403
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)octan-1-amine
CID 63504906
methyl 6-amino-6-(1,3-dihydro-2-benzofuran-5-yl)hexanoate
CID 63019188
2-amino-2-(1,3-dihydro-2-benzofuran-5-yl)ethanol
CID 82600093
1-(1,3-dihydro-2-benzofuran-5-yl)-2-methoxyethanamine
CID 105008898
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylpentan-1-amine
CID 55145401
(1R)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine
CID 82759253
4-(1-aminooctyl)aniline
CID 137458153
1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylhexan-1-amine
CID 63020243
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine
CID 28979698

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)octan-1-amine?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)octan-1-amine (CID 63020921) is 1-(1,3-dihydro-2-benzofuran-5-yl)octan-1-amine.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)octan-1-amine?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)octan-1-amine is CCCCCCCC(N)c1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)octan-1-amine?
The InChIKey is OSSGISVEXJRKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-3-4-5-6-7-16(17)13-8-9-14-11-18-12-15(14)10-13/h8-10,16H,2-7,11-12,17H2,1H3.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)octan-1-amine?
1-(1,3-dihydro-2-benzofuran-5-yl)octan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 4.08, 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)octan-1-amine is sourced from PubChem (CID 63020921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).