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

C14H17NO — CID 115819330

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpent-3-yn-1-amine
SMILESCC#CCC(NC)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H17NO/c1-3-4-5-13(15-2)11-6-7-14-12(10-11)8-9-16-14/h6-7,10,13,15H,5,8-9H2,1-2H3
InChIKeyZVQSUYTXDSOIPC-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.30
Rot. Bonds3

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

1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpent-3-yn-1-amine (PubChem CID 115819330) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpent-3-yn-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpent-3-yn-1-amine
PubChem CID115819330
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpent-3-yn-1-amine
SMILESCC#CCC(NC)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H17NO/c1-3-4-5-13(15-2)11-6-7-14-12(10-11)8-9-16-14/h6-7,10,13,15H,5,8-9H2,1-2H3
InChIKeyZVQSUYTXDSOIPC-UHFFFAOYSA-N
XLogP2.30
TPSA21.26 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 ≤ 52.30
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)pent-3-ynylhydrazine
CID 105290659
1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylpent-3-yn-1-amine
CID 115819586
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 116947980
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105180217
1-(2,3-dihydro-1-benzofuran-5-yl)hex-4-ynylhydrazine
CID 105334999
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N',N'-trimethylpropane-1,3-diamine
CID 104542785
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-methylnonan-1-amine
CID 65450080
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine
CID 103547142
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropan-1-amine
CID 43482553
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylmethanediamine
CID 116954398
2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine
CID 63044758

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpent-3-yn-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpent-3-yn-1-amine (CID 115819330) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpent-3-yn-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpent-3-yn-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpent-3-yn-1-amine is CC#CCC(NC)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpent-3-yn-1-amine?
The InChIKey is ZVQSUYTXDSOIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-3-4-5-13(15-2)11-6-7-14-12(10-11)8-9-16-14/h6-7,10,13,15H,5,8-9H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpent-3-yn-1-amine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpent-3-yn-1-amine has a molecular weight of 215.30 g/mol, XLogP of 2.30, 3 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-methylpent-3-yn-1-amine is sourced from PubChem (CID 115819330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).