1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-dimethylpropane-1,3-diamine

C13H20N2O — CID 114745997

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCC(N)c1cccc2c1OCC2
InChIInChI=1S/C13H20N2O/c1-15(2)8-6-12(14)11-5-3-4-10-7-9-16-13(10)11/h3-5,12H,6-9,14H2,1-2H3
InChIKeyVYOWATFFDNHUFP-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.57
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-dimethylpropane-1,3-diamine

1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 114745997) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID114745997
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCC(N)c1cccc2c1OCC2
InChIInChI=1S/C13H20N2O/c1-15(2)8-6-12(14)11-5-3-4-10-7-9-16-13(10)11/h3-5,12H,6-9,14H2,1-2H3
InChIKeyVYOWATFFDNHUFP-UHFFFAOYSA-N
XLogP1.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-diethylpropane-1,3-diamine
CID 114745726
1-(2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-1-amine
CID 114745358
1-(3,4-dihydro-2H-chromen-8-yl)-3-(dimethylamino)propan-1-ol
CID 114744719
1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-yloxyethanamine
CID 105189364
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfonylethanamine
CID 105053313
1-(3,4-dihydro-2H-chromen-8-yl)-3-methoxypropan-1-amine
CID 114745115
1-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
CID 114744902
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(2-methylphenyl)ethanamine
CID 114745152
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)ethanamine
CID 114745163
1-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridin-3-ylpropan-1-amine
CID 105189486
1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxybutan-1-amine
CID 114745442
2-amino-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 102547105

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-dimethylpropane-1,3-diamine (CID 114745997) is 1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-dimethylpropane-1,3-diamine is CN(C)CCC(N)c1cccc2c1OCC2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is VYOWATFFDNHUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-15(2)8-6-12(14)11-5-3-4-10-7-9-16-13(10)11/h3-5,12H,6-9,14H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-dimethylpropane-1,3-diamine?
1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 220.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 114745997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).