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

C16H21NO — CID 115819586

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylpent-3-yn-1-amine
SMILESCC#CCC(NCCC)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H21NO/c1-3-5-6-15(17-10-4-2)13-7-8-16-14(12-13)9-11-18-16/h7-8,12,15,17H,4,6,9-11H2,1-2H3
InChIKeySPOZTNGJPCJCTD-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.08
Rot. Bonds5

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

1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylpent-3-yn-1-amine (PubChem CID 115819586) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylpent-3-yn-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylpent-3-yn-1-amine
PubChem CID115819586
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylpent-3-yn-1-amine
SMILESCC#CCC(NCCC)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H21NO/c1-3-5-6-15(17-10-4-2)13-7-8-16-14(12-13)9-11-18-16/h7-8,12,15,17H,4,6,9-11H2,1-2H3
InChIKeySPOZTNGJPCJCTD-UHFFFAOYSA-N
XLogP3.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylhex-4-yn-1-amine
CID 105037301
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpent-3-yn-1-amine
CID 115819330
1-(2,3-dihydro-1-benzofuran-5-yl)pent-3-ynylhydrazine
CID 105290659
1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylethane-1,2-diamine
CID 62065655
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-N-propylbutan-1-amine
CID 43495458
3-(2,3-dihydro-1-benzofuran-5-yl)-3-(propylamino)propan-1-ol
CID 65234969
N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-difluoroethyl]propan-1-amine
CID 80605296
1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-N-propylbutan-1-amine
CID 43495473
1-(2,3-dihydro-1-benzofuran-5-yl)hex-4-ynylhydrazine
CID 105334999
N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 62199949
N-[2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclopropyl)methyl]propan-1-amine
CID 104542759
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylhexan-1-amine
CID 115845362

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylpent-3-yn-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylpent-3-yn-1-amine (CID 115819586) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylpent-3-yn-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylpent-3-yn-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylpent-3-yn-1-amine is CC#CCC(NCCC)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylpent-3-yn-1-amine?
The InChIKey is SPOZTNGJPCJCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-3-5-6-15(17-10-4-2)13-7-8-16-14(12-13)9-11-18-16/h7-8,12,15,17H,4,6,9-11H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylpent-3-yn-1-amine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylpent-3-yn-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylpent-3-yn-1-amine is sourced from PubChem (CID 115819586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).