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

C17H23NO — CID 104807348

IUPAC1-(2,3-dihydro-1-benzofuran-3-yl)-N-propylhex-4-yn-1-amine
SMILESCC#CCCC(NCCC)C1COc2ccccc21
InChIInChI=1S/C17H23NO/c1-3-5-6-10-16(18-12-4-2)15-13-19-17-11-8-7-9-14(15)17/h7-9,11,15-16,18H,4,6,10,12-13H2,1-2H3
InChIKeyDVZGKBOQJGVIRB-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.33
Rot. Bonds6

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

1-(2,3-dihydro-1-benzofuran-3-yl)-N-propylhex-4-yn-1-amine (PubChem CID 104807348) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-3-yl)-N-propylhex-4-yn-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-3-yl)-N-propylhex-4-yn-1-amine
PubChem CID104807348
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-(2,3-dihydro-1-benzofuran-3-yl)-N-propylhex-4-yn-1-amine
SMILESCC#CCCC(NCCC)C1COc2ccccc21
InChIInChI=1S/C17H23NO/c1-3-5-6-10-16(18-12-4-2)15-13-19-17-11-8-7-9-14(15)17/h7-9,11,15-16,18H,4,6,10,12-13H2,1-2H3
InChIKeyDVZGKBOQJGVIRB-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,3-dihydro-1-benzofuran-3-yl)-N-propylhex-4-yn-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dihydro-1-benzothiophen-3-yl)-N-propylhex-4-yn-1-amine
CID 105181597
1-(3,4-dihydro-2H-chromen-4-yl)-N-propylheptan-1-amine
CID 65409887
1-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-1-amine
CID 65409497
N-[2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102652109
N-propyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hex-4-yn-1-amine
CID 104806170
[1-(2,3-dihydro-1-benzofuran-3-yl)-3-methylhexyl]hydrazine
CID 105262689
N-[2,3-dihydro-1-benzofuran-3-yl(oxan-3-yl)methyl]propan-1-amine
CID 107136795
N-[2,3-dihydro-1-benzofuran-3-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 81163668
N-[1-(3,4-dihydro-2H-chromen-4-yl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83178375
1-(2,3-dihydro-1-benzofuran-3-yl)hex-5-ynylhydrazine
CID 105262710
[1-(2,3-dihydro-1-benzofuran-3-yl)-5,5-dimethylhex-3-ynyl]hydrazine
CID 114190772
1-phenyl-N-propylhept-5-yn-2-amine
CID 104804600

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-yl)-N-propylhex-4-yn-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-yl)-N-propylhex-4-yn-1-amine (CID 104807348) is 1-(2,3-dihydro-1-benzofuran-3-yl)-N-propylhex-4-yn-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-3-yl)-N-propylhex-4-yn-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-3-yl)-N-propylhex-4-yn-1-amine is CC#CCCC(NCCC)C1COc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-3-yl)-N-propylhex-4-yn-1-amine?
The InChIKey is DVZGKBOQJGVIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-3-5-6-10-16(18-12-4-2)15-13-19-17-11-8-7-9-14(15)17/h7-9,11,15-16,18H,4,6,10,12-13H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-3-yl)-N-propylhex-4-yn-1-amine?
1-(2,3-dihydro-1-benzofuran-3-yl)-N-propylhex-4-yn-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.33, 6 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-3-yl)-N-propylhex-4-yn-1-amine is sourced from PubChem (CID 104807348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).