N-[2-(1-benzofuran-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine

C15H22N2O — CID 115206607

IUPACN-[2-(1-benzofuran-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCNCCc1coc2ccccc12
InChIInChI=1S/C15H22N2O/c1-12(2)17-10-9-16-8-7-13-11-18-15-6-4-3-5-14(13)15/h3-6,11-12,16-17H,7-10H2,1-2H3
InChIKeyMBSSMQNWORMFML-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.56
Rot. Bonds7

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

N-[2-(1-benzofuran-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine (PubChem CID 115206607) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[2-(1-benzofuran-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(1-benzofuran-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
PubChem CID115206607
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[2-(1-benzofuran-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCNCCc1coc2ccccc12
InChIInChI=1S/C15H22N2O/c1-12(2)17-10-9-16-8-7-13-11-18-15-6-4-3-5-14(13)15/h3-6,11-12,16-17H,7-10H2,1-2H3
InChIKeyMBSSMQNWORMFML-UHFFFAOYSA-N
XLogP2.56
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.56
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

4-(1-benzofuran-3-yl)-N-ethylbutan-2-amine
CID 80703561
N-[2-(1-benzofuran-3-yl)ethyl]-2-hydroxypropanamide
CID 115140987
2-[2-(1-benzofuran-3-yl)ethylamino]acetic acid
CID 83641419
2-[[2-(1-benzofuran-3-yl)ethylamino]methyl]butanenitrile
CID 115254079
N-[2-(7-chloro-1-benzofuran-3-yl)ethyl]propan-2-amine
CID 81047320
N-[2-(2-bromophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206611
N-[2-(5,6,7,8-tetrahydrobenzo[f][1]benzofuran-3-yl)ethyl]propan-2-amine
CID 81049953
1-[[2-(1-benzofuran-3-yl)ethylamino]methyl]cyclobutane-1-carbonitrile
CID 115245466
N-(1-benzofuran-3-ylmethyl)-5-methylhexan-1-amine
CID 113287372
N-[2-(5-phenyl-1-benzofuran-3-yl)ethyl]propan-1-amine
CID 81038290
4-amino-N-[2-(1-benzofuran-3-yl)ethyl]-3-methylbutanamide
CID 115156463
N-(1-benzofuran-3-ylmethyl)but-3-en-2-amine
CID 115750474

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-[2-(1-benzofuran-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine (CID 115206607) is N-[2-(1-benzofuran-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-[2-(1-benzofuran-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-[2-(1-benzofuran-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine is CC(C)NCCNCCc1coc2ccccc12.
What is the InChIKey of N-[2-(1-benzofuran-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is MBSSMQNWORMFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12(2)17-10-9-16-8-7-13-11-18-15-6-4-3-5-14(13)15/h3-6,11-12,16-17H,7-10H2,1-2H3.
What are the key properties of N-[2-(1-benzofuran-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine?
N-[2-(1-benzofuran-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 246.35 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 115206607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).