6-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-amine

C14H21NO — CID 65305663

IUPAC6-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-amine
SMILESNCCCCCCc1ccc2c(c1)COC2
InChIInChI=1S/C14H21NO/c15-8-4-2-1-3-5-12-6-7-13-10-16-11-14(13)9-12/h6-7,9H,1-5,8,10-11,15H2
InChIKeyWAZWKUKQIQMTIS-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.78
Rot. Bonds6

About 6-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-amine

6-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-amine (PubChem CID 65305663) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 6-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-amine.

Molecular Properties

Compound Name6-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-amine
PubChem CID65305663
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name6-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-amine
SMILESNCCCCCCc1ccc2c(c1)COC2
InChIInChI=1S/C14H21NO/c15-8-4-2-1-3-5-12-6-7-13-10-16-11-14(13)9-12/h6-7,9H,1-5,8,10-11,15H2
InChIKeyWAZWKUKQIQMTIS-UHFFFAOYSA-N
XLogP2.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 6-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-amine?
The IUPAC name of 6-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-amine (CID 65305663) is 6-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-amine.
What is the SMILES notation for 6-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-amine?
The canonical SMILES for 6-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-amine is NCCCCCCc1ccc2c(c1)COC2.
What is the InChIKey of 6-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-amine?
The InChIKey is WAZWKUKQIQMTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c15-8-4-2-1-3-5-12-6-7-13-10-16-11-14(13)9-12/h6-7,9H,1-5,8,10-11,15H2.
What are the key properties of 6-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-amine?
6-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-amine is sourced from PubChem (CID 65305663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).