2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylbutane-1,2-diamine

C15H24N2O — CID 115138234

IUPAC2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylbutane-1,2-diamine
SMILESCC(C)C(CN)N(C)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C15H24N2O/c1-11(2)14(9-16)17(3)10-12-4-5-15-13(8-12)6-7-18-15/h4-5,8,11,14H,6-7,9-10,16H2,1-3H3
InChIKeyDBVWPZNEHGBLGS-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.04
Rot. Bonds5

About 2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylbutane-1,2-diamine

2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylbutane-1,2-diamine (PubChem CID 115138234) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylbutane-1,2-diamine
PubChem CID115138234
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylbutane-1,2-diamine
SMILESCC(C)C(CN)N(C)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C15H24N2O/c1-11(2)14(9-16)17(3)10-12-4-5-15-13(8-12)6-7-18-15/h4-5,8,11,14H,6-7,9-10,16H2,1-3H3
InChIKeyDBVWPZNEHGBLGS-UHFFFAOYSA-N
XLogP2.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-pyridin-4-ylethanamine
CID 99854678
5-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentan-1-amine
CID 65300933
[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol
CID 115229208
4-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpentanamide
CID 115156754
2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylacetamide
CID 115151665
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490999
2-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]butanoic acid
CID 65067942
2-[3,4-dihydro-2H-chromen-6-ylmethyl(methyl)amino]propanenitrile
CID 115130295
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-methylmethanediamine
CID 115226278
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine
CID 65446268
N'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine
CID 115204974
(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine
CID 95226186

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylbutane-1,2-diamine?
The IUPAC name of 2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylbutane-1,2-diamine (CID 115138234) is 2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylbutane-1,2-diamine is CC(C)C(CN)N(C)Cc1ccc2c(c1)CCO2.
What is the InChIKey of 2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylbutane-1,2-diamine?
The InChIKey is DBVWPZNEHGBLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)14(9-16)17(3)10-12-4-5-15-13(8-12)6-7-18-15/h4-5,8,11,14H,6-7,9-10,16H2,1-3H3.
What are the key properties of 2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylbutane-1,2-diamine?
2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylbutane-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylbutane-1,2-diamine is sourced from PubChem (CID 115138234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).