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

C13H20N2O — CID 62065655

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylethane-1,2-diamine
SMILESCCCNC(CN)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H20N2O/c1-2-6-15-12(9-14)10-3-4-13-11(8-10)5-7-16-13/h3-4,8,12,15H,2,5-7,9,14H2,1H3
InChIKeyBLLWVNIUFQYOHX-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.62
Rot. Bonds5

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

1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylethane-1,2-diamine (PubChem CID 62065655) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylethane-1,2-diamine
PubChem CID62065655
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylethane-1,2-diamine
SMILESCCCNC(CN)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H20N2O/c1-2-6-15-12(9-14)10-3-4-13-11(8-10)5-7-16-13/h3-4,8,12,15H,2,5-7,9,14H2,1H3
InChIKeyBLLWVNIUFQYOHX-UHFFFAOYSA-N
XLogP1.62
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-N-propylbutan-1-amine
CID 43495458
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propylethane-1,2-diamine
CID 55030455
3-(2,3-dihydro-1-benzofuran-5-yl)-3-(propylamino)propan-1-ol
CID 65234969
1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylpent-3-yn-1-amine
CID 115819586
1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylhex-4-yn-1-amine
CID 105037301
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 65379062
1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-N-propylbutan-1-amine
CID 43495473
N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-difluoroethyl]propan-1-amine
CID 80605296
N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 62199949
N-(3-chloro-4-methylphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethane-1,2-diamine
CID 104721726
N-[2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclopropyl)methyl]propan-1-amine
CID 104542759
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)propan-1-amine
CID 43778443

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylethane-1,2-diamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylethane-1,2-diamine (CID 62065655) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylethane-1,2-diamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylethane-1,2-diamine is CCCNC(CN)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylethane-1,2-diamine?
The InChIKey is BLLWVNIUFQYOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-6-15-12(9-14)10-3-4-13-11(8-10)5-7-16-13/h3-4,8,12,15H,2,5-7,9,14H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylethane-1,2-diamine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylethane-1,2-diamine has a molecular weight of 220.32 g/mol, XLogP of 1.62, 5 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)-N-propylethane-1,2-diamine is sourced from PubChem (CID 62065655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).