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

C12H18N2O — CID 65444450

IUPACN'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethane-1,2-diamine
SMILESNCCNCCc1ccc2c(c1)CCO2
InChIInChI=1S/C12H18N2O/c13-5-7-14-6-3-10-1-2-12-11(9-10)4-8-15-12/h1-2,9,14H,3-8,13H2
InChIKeyKDQXNMDWTNMBQI-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.71
Rot. Bonds5

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

N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethane-1,2-diamine (PubChem CID 65444450) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethane-1,2-diamine
PubChem CID65444450
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethane-1,2-diamine
SMILESNCCNCCc1ccc2c(c1)CCO2
InChIInChI=1S/C12H18N2O/c13-5-7-14-6-3-10-1-2-12-11(9-10)4-8-15-12/h1-2,9,14H,3-8,13H2
InChIKeyKDQXNMDWTNMBQI-UHFFFAOYSA-N
XLogP0.71
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]phenyl]propan-1-amine
CID 143299498
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylbutane-1,3-diamine
CID 115200827
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]ethyl carbamate
CID 83210158
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]cyclobutan-1-amine
CID 115214309
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 65445582
3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]butan-1-amine
CID 65446335
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106429393
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-2-methylbutanoic acid
CID 115220891
2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]ethanol
CID 96659085
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine
CID 65446095
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethylbutan-1-amine
CID 115756831

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethane-1,2-diamine (CID 65444450) is N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethane-1,2-diamine is NCCNCCc1ccc2c(c1)CCO2.
What is the InChIKey of N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethane-1,2-diamine?
The InChIKey is KDQXNMDWTNMBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-5-7-14-6-3-10-1-2-12-11(9-10)4-8-15-12/h1-2,9,14H,3-8,13H2.
What are the key properties of N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethane-1,2-diamine?
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethane-1,2-diamine has a molecular weight of 206.29 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 65444450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).