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

C12H13NO — CID 104995435

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylprop-2-yn-1-amine
SMILESC#CC(NC)c1ccc2c(c1)CCO2
InChIInChI=1S/C12H13NO/c1-3-11(13-2)9-4-5-12-10(8-9)6-7-14-12/h1,4-5,8,11,13H,6-7H2,2H3
InChIKeyJNSVJJLFTPMFFS-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.52
Rot. Bonds2

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

1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylprop-2-yn-1-amine (PubChem CID 104995435) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylprop-2-yn-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylprop-2-yn-1-amine
PubChem CID104995435
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylprop-2-yn-1-amine
SMILESC#CC(NC)c1ccc2c(c1)CCO2
InChIInChI=1S/C12H13NO/c1-3-11(13-2)9-4-5-12-10(8-9)6-7-14-12/h1,4-5,8,11,13H,6-7H2,2H3
InChIKeyJNSVJJLFTPMFFS-UHFFFAOYSA-N
XLogP1.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.52
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,N'-dimethylmethanediamine
CID 116954398
1-(2,3-dihydro-1-benzofuran-5-yl)-1-N-methylpropane-1,2-diamine
CID 116948140
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43482586
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 116947980
1-(2,5-dibromophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 62200884
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105180217
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpent-3-yn-1-amine
CID 115819330
2-[2,3-dihydro-1-benzofuran-5-yl(methylamino)methyl]-3-methylbutanenitrile
CID 116960717
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N',N'-trimethylpropane-1,3-diamine
CID 104542785
2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine
CID 83154976
1-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 43482503
4-[2,3-dihydro-1-benzofuran-5-yl(methylamino)methyl]cyclohexan-1-amine
CID 116952305

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylprop-2-yn-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylprop-2-yn-1-amine (CID 104995435) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylprop-2-yn-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylprop-2-yn-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylprop-2-yn-1-amine is C#CC(NC)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylprop-2-yn-1-amine?
The InChIKey is JNSVJJLFTPMFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-3-11(13-2)9-4-5-12-10(8-9)6-7-14-12/h1,4-5,8,11,13H,6-7H2,2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylprop-2-yn-1-amine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylprop-2-yn-1-amine has a molecular weight of 187.24 g/mol, XLogP of 1.52, 2 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-methylprop-2-yn-1-amine is sourced from PubChem (CID 104995435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).