1-(2,3-dihydro-1-benzofuran-5-yl)-1-N-methylpropane-1,2-diamine

C12H18N2O — CID 116948140

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-1-N-methylpropane-1,2-diamine
SMILESCNC(c1ccc2c(c1)CCO2)C(C)N
InChIInChI=1S/C12H18N2O/c1-8(13)12(14-2)10-3-4-11-9(7-10)5-6-15-11/h3-4,7-8,12,14H,5-6,13H2,1-2H3
InChIKeyZADLFLRGBGKHCT-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.23
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-5-yl)-1-N-methylpropane-1,2-diamine

1-(2,3-dihydro-1-benzofuran-5-yl)-1-N-methylpropane-1,2-diamine (PubChem CID 116948140) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-1-N-methylpropane-1,2-diamine
PubChem CID116948140
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-1-N-methylpropane-1,2-diamine
SMILESCNC(c1ccc2c(c1)CCO2)C(C)N
InChIInChI=1S/C12H18N2O/c1-8(13)12(14-2)10-3-4-11-9(7-10)5-6-15-11/h3-4,7-8,12,14H,5-6,13H2,1-2H3
InChIKeyZADLFLRGBGKHCT-UHFFFAOYSA-N
XLogP1.23
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine
CID 83154976
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylmethanediamine
CID 116954398
2-[2,3-dihydro-1-benzofuran-5-yl(methylamino)methyl]-3-methylbutanenitrile
CID 116960717
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-amine;hydrochloride
CID 86263152
2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43198470
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
CID 43198411
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine;hydrochloride
CID 86262999
[1-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxypropyl]hydrazine
CID 105247108
4-amino-3-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-ol
CID 66090066
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43482586
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine
CID 43198449
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 116947980

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-1-N-methylpropane-1,2-diamine (CID 116948140) is 1-(2,3-dihydro-1-benzofuran-5-yl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-1-N-methylpropane-1,2-diamine is CNC(c1ccc2c(c1)CCO2)C(C)N.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-1-N-methylpropane-1,2-diamine?
The InChIKey is ZADLFLRGBGKHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8(13)12(14-2)10-3-4-11-9(7-10)5-6-15-11/h3-4,7-8,12,14H,5-6,13H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-1-N-methylpropane-1,2-diamine?
1-(2,3-dihydro-1-benzofuran-5-yl)-1-N-methylpropane-1,2-diamine has a molecular weight of 206.29 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 116948140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).