N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methylsulfanylpentan-1-amine

C15H23NOS — CID 104923166

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methylsulfanylpentan-1-amine
SMILESCSCCCCCNCc1ccc2c(c1)CCO2
InChIInChI=1S/C15H23NOS/c1-18-10-4-2-3-8-16-12-13-5-6-15-14(11-13)7-9-17-15/h5-6,11,16H,2-4,7-10,12H2,1H3
InChIKeyOJPVQFGQFNVITF-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.24
Rot. Bonds8

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methylsulfanylpentan-1-amine

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methylsulfanylpentan-1-amine (PubChem CID 104923166) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methylsulfanylpentan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methylsulfanylpentan-1-amine
PubChem CID104923166
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methylsulfanylpentan-1-amine
SMILESCSCCCCCNCc1ccc2c(c1)CCO2
InChIInChI=1S/C15H23NOS/c1-18-10-4-2-3-8-16-12-13-5-6-15-14(11-13)7-9-17-15/h5-6,11,16H,2-4,7-10,12H2,1H3
InChIKeyOJPVQFGQFNVITF-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)hexan-1-amine
CID 43804174
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pent-4-yn-1-amine
CID 103701656
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 104922982
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 60923933
4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)butan-2-one
CID 115235717
(2,3-dihydro-1-benzofuran-5-ylmethylamino)methanethiol
CID 59518007
N-(1,3-benzodioxol-5-ylmethyl)-3-methylsulfanylpropan-1-amine
CID 28650077
3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propanoic acid
CID 43804240
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methyl-2-methylsulfanylpropan-1-amine
CID 113245808
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79351788
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine
CID 65446095
4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-N,N-dimethylaniline
CID 43804179

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methylsulfanylpentan-1-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methylsulfanylpentan-1-amine (CID 104923166) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methylsulfanylpentan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methylsulfanylpentan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methylsulfanylpentan-1-amine is CSCCCCCNCc1ccc2c(c1)CCO2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methylsulfanylpentan-1-amine?
The InChIKey is OJPVQFGQFNVITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-18-10-4-2-3-8-16-12-13-5-6-15-14(11-13)7-9-17-15/h5-6,11,16H,2-4,7-10,12H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methylsulfanylpentan-1-amine?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methylsulfanylpentan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methylsulfanylpentan-1-amine is sourced from PubChem (CID 104923166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).