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

C14H17NO — CID 106208946

IUPAC6-(1,3-dihydro-2-benzofuran-5-yl)hex-5-yn-1-amine
SMILESNCCCCC#Cc1ccc2c(c1)COC2
InChIInChI=1S/C14H17NO/c15-8-4-2-1-3-5-12-6-7-13-10-16-11-14(13)9-12/h6-7,9H,1-2,4,8,10-11,15H2
InChIKeyPQWJYWJZUHVTMH-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.20
Rot. Bonds3

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

6-(1,3-dihydro-2-benzofuran-5-yl)hex-5-yn-1-amine (PubChem CID 106208946) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 6-(1,3-dihydro-2-benzofuran-5-yl)hex-5-yn-1-amine.

Molecular Properties

Compound Name6-(1,3-dihydro-2-benzofuran-5-yl)hex-5-yn-1-amine
PubChem CID106208946
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name6-(1,3-dihydro-2-benzofuran-5-yl)hex-5-yn-1-amine
SMILESNCCCCC#Cc1ccc2c(c1)COC2
InChIInChI=1S/C14H17NO/c15-8-4-2-1-3-5-12-6-7-13-10-16-11-14(13)9-12/h6-7,9H,1-2,4,8,10-11,15H2
InChIKeyPQWJYWJZUHVTMH-UHFFFAOYSA-N
XLogP2.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(3,4-diethylphenyl)hex-5-yn-1-amine
CID 106208997
6-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-amine
CID 65305663
4-(5,6,7,8-tetrahydronaphthalen-2-yl)but-3-yn-1-amine
CID 116641482
6-(3-methylphenyl)hex-5-yn-1-amine
CID 103691725
1-[3-(1,3-dihydro-2-benzofuran-5-yl)prop-2-ynyl]piperazine
CID 63019189
N-(4-aminobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732460
1,3-dihydro-2-benzofuran-5-ylmethanamine;hydrochloride
CID 47002851
6-[5-(3-aminoprop-1-ynyl)furan-2-yl]hex-5-yn-1-amine
CID 172548780
6-[3-(1,3-benzothiazol-4-yl)phenyl]hex-5-yn-1-amine
CID 173023271
6-(2,6-dimethoxyphenyl)hex-5-yn-1-amine
CID 106208844
4-hept-1-ynyl-1,2-dimethylbenzene
CID 146003285
6-[5-(3-aminoprop-1-ynyl)thiophen-2-yl]hex-5-yn-1-amine
CID 172548773

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dihydro-2-benzofuran-5-yl)hex-5-yn-1-amine?
The IUPAC name of 6-(1,3-dihydro-2-benzofuran-5-yl)hex-5-yn-1-amine (CID 106208946) is 6-(1,3-dihydro-2-benzofuran-5-yl)hex-5-yn-1-amine.
What is the SMILES notation for 6-(1,3-dihydro-2-benzofuran-5-yl)hex-5-yn-1-amine?
The canonical SMILES for 6-(1,3-dihydro-2-benzofuran-5-yl)hex-5-yn-1-amine is NCCCCC#Cc1ccc2c(c1)COC2.
What is the InChIKey of 6-(1,3-dihydro-2-benzofuran-5-yl)hex-5-yn-1-amine?
The InChIKey is PQWJYWJZUHVTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c15-8-4-2-1-3-5-12-6-7-13-10-16-11-14(13)9-12/h6-7,9H,1-2,4,8,10-11,15H2.
What are the key properties of 6-(1,3-dihydro-2-benzofuran-5-yl)hex-5-yn-1-amine?
6-(1,3-dihydro-2-benzofuran-5-yl)hex-5-yn-1-amine has a molecular weight of 215.30 g/mol, XLogP of 2.20, 3 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)hex-5-yn-1-amine is sourced from PubChem (CID 106208946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).