1-(1,3-dihydro-2-benzofuran-5-yl)-N-propylhex-4-yn-1-amine

C17H23NO — CID 105037474

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-N-propylhex-4-yn-1-amine
SMILESCC#CCCC(NCCC)c1ccc2c(c1)COC2
InChIInChI=1S/C17H23NO/c1-3-5-6-7-17(18-10-4-2)14-8-9-15-12-19-13-16(15)11-14/h8-9,11,17-18H,4,6-7,10,12-13H2,1-2H3
InChIKeyQICHYTFTOIPEJJ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.56
Rot. Bonds6

About 1-(1,3-dihydro-2-benzofuran-5-yl)-N-propylhex-4-yn-1-amine

1-(1,3-dihydro-2-benzofuran-5-yl)-N-propylhex-4-yn-1-amine (PubChem CID 105037474) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-N-propylhex-4-yn-1-amine.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-N-propylhex-4-yn-1-amine
PubChem CID105037474
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-N-propylhex-4-yn-1-amine
SMILESCC#CCCC(NCCC)c1ccc2c(c1)COC2
InChIInChI=1S/C17H23NO/c1-3-5-6-7-17(18-10-4-2)14-8-9-15-12-19-13-16(15)11-14/h8-9,11,17-18H,4,6-7,10,12-13H2,1-2H3
InChIKeyQICHYTFTOIPEJJ-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.56
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-(1,3-dihydro-2-benzofuran-5-yl)-4-methoxy-N-propylbutan-1-amine
CID 105055041
1-(3,4-difluorophenyl)-N-propylhex-4-yn-1-amine
CID 104804644
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylpentan-1-amine
CID 55145401
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylhexan-1-amine
CID 55145403
1-(4-tert-butylphenyl)-N-propylhex-4-yn-1-amine
CID 105037317
1-(3-bromophenyl)-N-propylhex-4-yn-1-amine
CID 113455212
N-[2-(5-bromothiophen-2-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]propan-1-amine
CID 115841189
1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 63021290
1-(1,3-dihydro-2-benzofuran-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518874
1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylpent-3-yn-1-amine
CID 115819586
1-(1,3-dihydro-2-benzofuran-5-yl)propylhydrazine
CID 105281849

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-propylhex-4-yn-1-amine?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-propylhex-4-yn-1-amine (CID 105037474) is 1-(1,3-dihydro-2-benzofuran-5-yl)-N-propylhex-4-yn-1-amine.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-N-propylhex-4-yn-1-amine?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-N-propylhex-4-yn-1-amine is CC#CCCC(NCCC)c1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-propylhex-4-yn-1-amine?
The InChIKey is QICHYTFTOIPEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-3-5-6-7-17(18-10-4-2)14-8-9-15-12-19-13-16(15)11-14/h8-9,11,17-18H,4,6-7,10,12-13H2,1-2H3.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-propylhex-4-yn-1-amine?
1-(1,3-dihydro-2-benzofuran-5-yl)-N-propylhex-4-yn-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-N-propylhex-4-yn-1-amine is sourced from PubChem (CID 105037474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).