N-[(3-ethoxyphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine

C15H23NO2 — CID 113258303

IUPACN-[(3-ethoxyphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
SMILESC=C(C)COCCNCc1cccc(OCC)c1
InChIInChI=1S/C15H23NO2/c1-4-18-15-7-5-6-14(10-15)11-16-8-9-17-12-13(2)3/h5-7,10,16H,2,4,8-9,11-12H2,1,3H3
InChIKeyLZPLRSRNSNMIBV-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.77
Rot. Bonds9

About N-[(3-ethoxyphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine

N-[(3-ethoxyphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine (PubChem CID 113258303) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
PubChem CID113258303
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[(3-ethoxyphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
SMILESC=C(C)COCCNCc1cccc(OCC)c1
InChIInChI=1S/C15H23NO2/c1-4-18-15-7-5-6-14(10-15)11-16-8-9-17-12-13(2)3/h5-7,10,16H,2,4,8-9,11-12H2,1,3H3
InChIKeyLZPLRSRNSNMIBV-UHFFFAOYSA-N
XLogP2.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.77
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-[[3-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54849949
2-[2-[(3-ethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17295669
N-[(3-ethoxyphenyl)methyl]pentan-1-amine
CID 4717531
5-[(3-ethoxyphenyl)methylamino]pentan-1-ol
CID 17206726
N-[(3-ethoxyphenyl)methyl]heptan-1-amine
CID 4717571
methyl 3-[(3-ethoxyphenyl)methylamino]propanoate
CID 60874455
N-[2-(3-bromophenoxy)ethyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 114467776
1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776460
N-[(3-ethoxyphenyl)methyl]but-3-yn-1-amine
CID 63654869
N-[(3-ethoxyphenyl)methyl]-3-methylbut-2-en-1-amine
CID 103527853
N-[(3-ethoxyphenyl)methyl]-2-ethylsulfonylethanamine
CID 60871815
N'-[(3-ethoxyphenyl)methyl]butane-1,4-diamine
CID 60895275

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine (CID 113258303) is N-[(3-ethoxyphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine is C=C(C)COCCNCc1cccc(OCC)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine?
The InChIKey is LZPLRSRNSNMIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-18-15-7-5-6-14(10-15)11-16-8-9-17-12-13(2)3/h5-7,10,16H,2,4,8-9,11-12H2,1,3H3.
What are the key properties of N-[(3-ethoxyphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine?
N-[(3-ethoxyphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine is sourced from PubChem (CID 113258303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).