1-(5-methyl-1-benzofuran-2-yl)-N-propylprop-2-yn-1-amine

C15H17NO — CID 105158225

IUPAC1-(5-methyl-1-benzofuran-2-yl)-N-propylprop-2-yn-1-amine
SMILESC#CC(NCCC)c1cc2cc(C)ccc2o1
InChIInChI=1S/C15H17NO/c1-4-8-16-13(5-2)15-10-12-9-11(3)6-7-14(12)17-15/h2,6-7,9-10,13,16H,4,8H2,1,3H3
InChIKeyAHSBMESXIIKWJZ-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.42
Rot. Bonds4

About 1-(5-methyl-1-benzofuran-2-yl)-N-propylprop-2-yn-1-amine

1-(5-methyl-1-benzofuran-2-yl)-N-propylprop-2-yn-1-amine (PubChem CID 105158225) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(5-methyl-1-benzofuran-2-yl)-N-propylprop-2-yn-1-amine.

Molecular Properties

Compound Name1-(5-methyl-1-benzofuran-2-yl)-N-propylprop-2-yn-1-amine
PubChem CID105158225
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name1-(5-methyl-1-benzofuran-2-yl)-N-propylprop-2-yn-1-amine
SMILESC#CC(NCCC)c1cc2cc(C)ccc2o1
InChIInChI=1S/C15H17NO/c1-4-8-16-13(5-2)15-10-12-9-11(3)6-7-14(12)17-15/h2,6-7,9-10,13,16H,4,8H2,1,3H3
InChIKeyAHSBMESXIIKWJZ-UHFFFAOYSA-N
XLogP3.42
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.42
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

2,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 105045138
N-[(5-methyl-1-benzofuran-2-yl)-phenylmethyl]propan-1-amine
CID 114727860
N-[(5-bromofuran-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045147
1-(5-methylfuran-2-yl)-N-propylprop-2-yn-1-amine
CID 104995757
N-[(5-methyl-1-benzofuran-2-yl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
CID 114730144
N-[(5-methyl-1-benzofuran-2-yl)-(1,3-thiazol-5-yl)methyl]propan-1-amine
CID 114730213
N-[(5-methyl-1-benzofuran-2-yl)-pyridin-3-ylmethyl]propan-1-amine
CID 114727737
N-[1H-imidazol-2-yl-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114730166
N-[(3-bromothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045202
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
1-(2-methoxy-4-methylphenyl)-N-propylprop-2-yn-1-amine
CID 106792543
N-[1,4-dioxan-2-yl-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045384

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-benzofuran-2-yl)-N-propylprop-2-yn-1-amine?
The IUPAC name of 1-(5-methyl-1-benzofuran-2-yl)-N-propylprop-2-yn-1-amine (CID 105158225) is 1-(5-methyl-1-benzofuran-2-yl)-N-propylprop-2-yn-1-amine.
What is the SMILES notation for 1-(5-methyl-1-benzofuran-2-yl)-N-propylprop-2-yn-1-amine?
The canonical SMILES for 1-(5-methyl-1-benzofuran-2-yl)-N-propylprop-2-yn-1-amine is C#CC(NCCC)c1cc2cc(C)ccc2o1.
What is the InChIKey of 1-(5-methyl-1-benzofuran-2-yl)-N-propylprop-2-yn-1-amine?
The InChIKey is AHSBMESXIIKWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-4-8-16-13(5-2)15-10-12-9-11(3)6-7-14(12)17-15/h2,6-7,9-10,13,16H,4,8H2,1,3H3.
What are the key properties of 1-(5-methyl-1-benzofuran-2-yl)-N-propylprop-2-yn-1-amine?
1-(5-methyl-1-benzofuran-2-yl)-N-propylprop-2-yn-1-amine has a molecular weight of 227.31 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-benzofuran-2-yl)-N-propylprop-2-yn-1-amine is sourced from PubChem (CID 105158225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).