1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine

C15H24N2O — CID 65445582

IUPAC1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCC(CNCCc1ccc2c(c1)CCO2)N(C)C
InChIInChI=1S/C15H24N2O/c1-12(17(2)3)11-16-8-6-13-4-5-15-14(10-13)7-9-18-15/h4-5,10,12,16H,6-9,11H2,1-3H3
InChIKeySMLXXNUYDWZPNI-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.70
Rot. Bonds6

About 1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine

1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 65445582) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
PubChem CID65445582
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCC(CNCCc1ccc2c(c1)CCO2)N(C)C
InChIInChI=1S/C15H24N2O/c1-12(17(2)3)11-16-8-6-13-4-5-15-14(10-13)7-9-18-15/h4-5,10,12,16H,6-9,11H2,1-3H3
InChIKeySMLXXNUYDWZPNI-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethylbutan-1-amine
CID 115756831
2-[[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]butanenitrile
CID 115254062
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 65444678
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethane-1,2-diamine
CID 65444450
3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]butan-1-amine
CID 65446335
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylbutane-1,3-diamine
CID 115200827
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)ethanamine
CID 65431785
3-[[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]pentan-3-ol
CID 65446932
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine
CID 65446095
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-2-methylbutanoic acid
CID 115220891
1-bromo-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]propan-2-amine
CID 107859705
2-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 65444828

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine (CID 65445582) is 1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine is CC(CNCCc1ccc2c(c1)CCO2)N(C)C.
What is the InChIKey of 1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is SMLXXNUYDWZPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(17(2)3)11-16-8-6-13-4-5-15-14(10-13)7-9-18-15/h4-5,10,12,16H,6-9,11H2,1-3H3.
What are the key properties of 1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine?
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 65445582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).