1-(1,3-dihydro-2-benzofuran-5-yl)oct-7-en-1-amine

C16H23NO — CID 107011642

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)oct-7-en-1-amine
SMILESC=CCCCCCC(N)c1ccc2c(c1)COC2
InChIInChI=1S/C16H23NO/c1-2-3-4-5-6-7-16(17)13-8-9-14-11-18-12-15(14)10-13/h2,8-10,16H,1,3-7,11-12,17H2
InChIKeyWJXPAXVMFOQUHB-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.85
Rot. Bonds7

About 1-(1,3-dihydro-2-benzofuran-5-yl)oct-7-en-1-amine

1-(1,3-dihydro-2-benzofuran-5-yl)oct-7-en-1-amine (PubChem CID 107011642) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)oct-7-en-1-amine.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)oct-7-en-1-amine
PubChem CID107011642
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)oct-7-en-1-amine
SMILESC=CCCCCCC(N)c1ccc2c(c1)COC2
InChIInChI=1S/C16H23NO/c1-2-3-4-5-6-7-16(17)13-8-9-14-11-18-12-15(14)10-13/h2,8-10,16H,1,3-7,11-12,17H2
InChIKeyWJXPAXVMFOQUHB-UHFFFAOYSA-N
XLogP3.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1,3-dihydro-2-benzofuran-5-yl)octan-1-amine
CID 63020921
1-(2,3-dihydro-1H-inden-5-yl)pent-4-en-1-amine
CID 104987476
1-(1,3-dihydro-2-benzofuran-5-yl)prop-2-en-1-amine
CID 105000909
2-amino-2-(1,3-dihydro-2-benzofuran-5-yl)ethanol
CID 82600093
1-(1,3-dihydro-2-benzofuran-5-yl)-4-methylsulfonylbutan-1-amine
CID 115820724
methyl 6-amino-6-(1,3-dihydro-2-benzofuran-5-yl)hexanoate
CID 63019188
1-(4-ethylphenyl)oct-7-en-1-amine
CID 107008823
1-(4-fluoro-3-methylphenyl)oct-7-en-1-amine
CID 107008902
1-(4-bromo-3-methylphenyl)oct-7-en-1-amine
CID 107012120
1-(1,3-dihydro-2-benzofuran-5-yl)-2-methoxyethanamine
CID 105008898
(1R)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine
CID 82759253
(1S)-1-(9H-fluoren-2-yl)pent-4-en-1-amine;hydrochloride
CID 171233295

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)oct-7-en-1-amine?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)oct-7-en-1-amine (CID 107011642) is 1-(1,3-dihydro-2-benzofuran-5-yl)oct-7-en-1-amine.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)oct-7-en-1-amine?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)oct-7-en-1-amine is C=CCCCCCC(N)c1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)oct-7-en-1-amine?
The InChIKey is WJXPAXVMFOQUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-3-4-5-6-7-16(17)13-8-9-14-11-18-12-15(14)10-13/h2,8-10,16H,1,3-7,11-12,17H2.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)oct-7-en-1-amine?
1-(1,3-dihydro-2-benzofuran-5-yl)oct-7-en-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.85, 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)oct-7-en-1-amine is sourced from PubChem (CID 107011642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).