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

C15H24N2O — CID 114745726

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCC(N)c1cccc2c1OCC2
InChIInChI=1S/C15H24N2O/c1-3-17(4-2)10-8-14(16)13-7-5-6-12-9-11-18-15(12)13/h5-7,14H,3-4,8-11,16H2,1-2H3
InChIKeyMCUMWFWPFMULSS-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.35
Rot. Bonds6

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

1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-diethylpropane-1,3-diamine (PubChem CID 114745726) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-diethylpropane-1,3-diamine
PubChem CID114745726
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCC(N)c1cccc2c1OCC2
InChIInChI=1S/C15H24N2O/c1-3-17(4-2)10-8-14(16)13-7-5-6-12-9-11-18-15(12)13/h5-7,14H,3-4,8-11,16H2,1-2H3
InChIKeyMCUMWFWPFMULSS-UHFFFAOYSA-N
XLogP2.35
TPSA38.49 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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-dimethylpropane-1,3-diamine
CID 114745997
1-(2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-1-amine
CID 114745358
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
7-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89030364
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'-diethylpropane-1,3-diamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-diethylpropane-1,3-diamine (CID 114745726) is 1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCC(N)c1cccc2c1OCC2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-diethylpropane-1,3-diamine?
The InChIKey is MCUMWFWPFMULSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-17(4-2)10-8-14(16)13-7-5-6-12-9-11-18-15(12)13/h5-7,14H,3-4,8-11,16H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-diethylpropane-1,3-diamine?
1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-diethylpropane-1,3-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.35, 6 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'-diethylpropane-1,3-diamine is sourced from PubChem (CID 114745726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).