N-(1-benzofuran-2-ylmethyl)-2-(2-methylprop-2-enoxy)ethanamine

C15H19NO2 — CID 115699157

IUPACN-(1-benzofuran-2-ylmethyl)-2-(2-methylprop-2-enoxy)ethanamine
SMILESC=C(C)COCCNCc1cc2ccccc2o1
InChIInChI=1S/C15H19NO2/c1-12(2)11-17-8-7-16-10-14-9-13-5-3-4-6-15(13)18-14/h3-6,9,16H,1,7-8,10-11H2,2H3
InChIKeyQIUQGXUEMFLKRK-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.12
Rot. Bonds7

About N-(1-benzofuran-2-ylmethyl)-2-(2-methylprop-2-enoxy)ethanamine

N-(1-benzofuran-2-ylmethyl)-2-(2-methylprop-2-enoxy)ethanamine (PubChem CID 115699157) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-2-(2-methylprop-2-enoxy)ethanamine.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-2-(2-methylprop-2-enoxy)ethanamine
PubChem CID115699157
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-(1-benzofuran-2-ylmethyl)-2-(2-methylprop-2-enoxy)ethanamine
SMILESC=C(C)COCCNCc1cc2ccccc2o1
InChIInChI=1S/C15H19NO2/c1-12(2)11-17-8-7-16-10-14-9-13-5-3-4-6-15(13)18-14/h3-6,9,16H,1,7-8,10-11H2,2H3
InChIKeyQIUQGXUEMFLKRK-UHFFFAOYSA-N
XLogP3.12
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzofuran-2-carboxamide
CID 115699680
N-(1-benzofuran-2-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 28615423
N-(1-benzofuran-2-ylmethyl)-2-ethylsulfinylethanamine
CID 113237590
ethyl 3-(1-benzofuran-2-ylmethylamino)propanoate
CID 53397244
N-(1-benzofuran-2-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
CID 28618146
N-(1-benzofuran-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine
CID 29276863
N-(1-benzofuran-2-ylmethyl)-1-(4-ethylcyclohexyl)methanamine
CID 63451959
2-(2-methylprop-2-enoxy)-N-[(5-nitrofuran-2-yl)methyl]ethanamine
CID 113258313
N-[(2,6-dimethylphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 115897877
2-(2-methylprop-2-enoxy)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 114467087
3-(1-benzofuran-2-ylmethylamino)-2-methylpropane-1,2-diol
CID 66168795
2-[2-(2-methylprop-2-enoxy)ethylamino]-1-naphthalen-2-ylethanol
CID 114467654

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-2-(2-methylprop-2-enoxy)ethanamine?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-2-(2-methylprop-2-enoxy)ethanamine (CID 115699157) is N-(1-benzofuran-2-ylmethyl)-2-(2-methylprop-2-enoxy)ethanamine.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-2-(2-methylprop-2-enoxy)ethanamine?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-2-(2-methylprop-2-enoxy)ethanamine is C=C(C)COCCNCc1cc2ccccc2o1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-2-(2-methylprop-2-enoxy)ethanamine?
The InChIKey is QIUQGXUEMFLKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-12(2)11-17-8-7-16-10-14-9-13-5-3-4-6-15(13)18-14/h3-6,9,16H,1,7-8,10-11H2,2H3.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-2-(2-methylprop-2-enoxy)ethanamine?
N-(1-benzofuran-2-ylmethyl)-2-(2-methylprop-2-enoxy)ethanamine has a molecular weight of 245.32 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-2-(2-methylprop-2-enoxy)ethanamine is sourced from PubChem (CID 115699157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).