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

C15H24N2O — CID 66349179

IUPAC3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCC(CCN(C)C)NCC1Cc2ccccc2O1
InChIInChI=1S/C15H24N2O/c1-12(8-9-17(2)3)16-11-14-10-13-6-4-5-7-15(13)18-14/h4-7,12,14,16H,8-11H2,1-3H3
InChIKeyXGBRESQJJJNKFL-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.92
Rot. Bonds6

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

3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 66349179) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID66349179
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCC(CCN(C)C)NCC1Cc2ccccc2O1
InChIInChI=1S/C15H24N2O/c1-12(8-9-17(2)3)16-11-14-10-13-6-4-5-7-15(13)18-14/h4-7,12,14,16H,8-11H2,1-3H3
InChIKeyXGBRESQJJJNKFL-UHFFFAOYSA-N
XLogP1.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)butan-2-amine
CID 83186640
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hexan-2-amine
CID 54895979
(2S)-2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,2-diamine
CID 104867584
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-ethoxypropan-2-amine
CID 66347030
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butanamide
CID 115676291
(1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-phenylethanamine
CID 79036025
1-(5-bromofuran-2-yl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine
CID 104652832
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 61004141
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(1-methylpiperidin-4-yl)ethanamine
CID 61003470
1-(azepan-2-yl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propan-2-amine
CID 79539978
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethylbutan-1-amine
CID 66365130

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine (CID 66349179) is 3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine is CC(CCN(C)C)NCC1Cc2ccccc2O1.
What is the InChIKey of 3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is XGBRESQJJJNKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(8-9-17(2)3)16-11-14-10-13-6-4-5-7-15(13)18-14/h4-7,12,14,16H,8-11H2,1-3H3.
What are the key properties of 3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine?
3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 248.37 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 66349179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).