N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-dimethylbutane-1,4-diamine

C15H24N2O — CID 79227145

IUPACN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-dimethylbutane-1,4-diamine
SMILESCN(C)CCCCNCC1COc2ccccc21
InChIInChI=1S/C15H24N2O/c1-17(2)10-6-5-9-16-11-13-12-18-15-8-4-3-7-14(13)15/h3-4,7-8,13,16H,5-6,9-12H2,1-2H3
InChIKeyXWGPJCWQEJQXKL-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.09
Rot. Bonds7

About N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-dimethylbutane-1,4-diamine

N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-dimethylbutane-1,4-diamine (PubChem CID 79227145) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-dimethylbutane-1,4-diamine
PubChem CID79227145
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-dimethylbutane-1,4-diamine
SMILESCN(C)CCCCNCC1COc2ccccc21
InChIInChI=1S/C15H24N2O/c1-17(2)10-6-5-9-16-11-13-12-18-15-8-4-3-7-14(13)15/h3-4,7-8,13,16H,5-6,9-12H2,1-2H3
InChIKeyXWGPJCWQEJQXKL-UHFFFAOYSA-N
XLogP2.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.09
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-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-amine
CID 106844833
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methoxybutan-1-amine
CID 79227067
5-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)pentan-1-amine
CID 107320375
6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-1-amine
CID 114008270
N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine
CID 79226752
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 79226973
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol
CID 79226581
4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)butanamide
CID 79225953
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 79226994
N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 113405504
4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine
CID 79229528
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 79226040

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-dimethylbutane-1,4-diamine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-dimethylbutane-1,4-diamine (CID 79227145) is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-dimethylbutane-1,4-diamine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-dimethylbutane-1,4-diamine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-dimethylbutane-1,4-diamine is CN(C)CCCCNCC1COc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-dimethylbutane-1,4-diamine?
The InChIKey is XWGPJCWQEJQXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-17(2)10-6-5-9-16-11-13-12-18-15-8-4-3-7-14(13)15/h3-4,7-8,13,16H,5-6,9-12H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-dimethylbutane-1,4-diamine?
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-dimethylbutane-1,4-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.09, 7 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-3-ylmethyl)-N',N'-dimethylbutane-1,4-diamine is sourced from PubChem (CID 79227145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).