4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-amine

C15H23NOS — CID 65444965

IUPAC4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-amine
SMILESCCCSCC(N)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C15H23NOS/c1-2-9-18-11-14(16)5-3-12-4-6-15-13(10-12)7-8-17-15/h4,6,10,14H,2-3,5,7-9,11,16H2,1H3
InChIKeyWWYIUIUUPDJNGB-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.02
Rot. Bonds7

About 4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-amine

4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-amine (PubChem CID 65444965) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-amine
PubChem CID65444965
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-amine
SMILESCCCSCC(N)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C15H23NOS/c1-2-9-18-11-14(16)5-3-12-4-6-15-13(10-12)7-8-17-15/h4,6,10,14H,2-3,5,7-9,11,16H2,1H3
InChIKeyWWYIUIUUPDJNGB-UHFFFAOYSA-N
XLogP3.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-ol
CID 65446456
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine
CID 65446268
4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylphenyl)butan-2-amine
CID 65446280
4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethylsulfanylbutan-2-ol
CID 65446454
[4-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfanylbutan-2-yl]hydrazine
CID 105213803
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylcyclohexyl)propan-1-amine
CID 65445707
5-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentan-1-amine
CID 65300933
4-(2,3-dihydro-1-benzofuran-5-yl)-1-propan-2-ylsulfanyl-N-propylbutan-2-amine
CID 65445719
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpentan-3-amine
CID 65444946
1-(3,5-dibromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 107975539
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-4-methylsulfonylpentan-3-amine
CID 115864525
[3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-ethylfuran-2-yl)propyl]hydrazine
CID 105310456

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-amine?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-amine (CID 65444965) is 4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-amine.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-amine?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-amine is CCCSCC(N)CCc1ccc2c(c1)CCO2.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-amine?
The InChIKey is WWYIUIUUPDJNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-2-9-18-11-14(16)5-3-12-4-6-15-13(10-12)7-8-17-15/h4,6,10,14H,2-3,5,7-9,11,16H2,1H3.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-amine?
4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-amine has a molecular weight of 265.42 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-amine is sourced from PubChem (CID 65444965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).