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

C13H18N2O — CID 60888739

IUPACN'-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine
SMILESCCc1oc2ccccc2c1CNCCN
InChIInChI=1S/C13H18N2O/c1-2-12-11(9-15-8-7-14)10-5-3-4-6-13(10)16-12/h3-6,15H,2,7-9,14H2,1H3
InChIKeyMIMYQCIMYPLMIP-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.04
Rot. Bonds5

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

N'-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine (PubChem CID 60888739) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N'-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine
PubChem CID60888739
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN'-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine
SMILESCCc1oc2ccccc2c1CNCCN
InChIInChI=1S/C13H18N2O/c1-2-12-11(9-15-8-7-14)10-5-3-4-6-13(10)16-12/h3-6,15H,2,7-9,14H2,1H3
InChIKeyMIMYQCIMYPLMIP-UHFFFAOYSA-N
XLogP2.04
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.04
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

N-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine
CID 43226064
ethyl 4-[(2-ethyl-1-benzofuran-3-yl)methylamino]butanoate
CID 64578726
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-pyridin-4-ylethanamine
CID 60902981
1-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-2-ol
CID 43226104
N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 43665972
1-cyclohexyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]methanamine
CID 43226082
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-imidazol-1-ylethanamine
CID 60669582
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 79492984
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63332180
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-methylbutan-2-amine
CID 43226118
N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine
CID 62449528
1-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43434685

Frequently Asked Questions

What is the IUPAC name of N'-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine (CID 60888739) is N'-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine is CCc1oc2ccccc2c1CNCCN.
What is the InChIKey of N'-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine?
The InChIKey is MIMYQCIMYPLMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-12-11(9-15-8-7-14)10-5-3-4-6-13(10)16-12/h3-6,15H,2,7-9,14H2,1H3.
What are the key properties of N'-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine?
N'-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine has a molecular weight of 218.30 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 60888739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).