N-ethyl-1-(4-methoxy-2-methylphenyl)-2-propoxyethanamine

C15H25NO2 — CID 65313666

IUPACN-ethyl-1-(4-methoxy-2-methylphenyl)-2-propoxyethanamine
SMILESCCCOCC(NCC)c1ccc(OC)cc1C
InChIInChI=1S/C15H25NO2/c1-5-9-18-11-15(16-6-2)14-8-7-13(17-4)10-12(14)3/h7-8,10,15-16H,5-6,9,11H2,1-4H3
InChIKeyONYIEBOSJOEZOT-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.08
Rot. Bonds8

About N-ethyl-1-(4-methoxy-2-methylphenyl)-2-propoxyethanamine

N-ethyl-1-(4-methoxy-2-methylphenyl)-2-propoxyethanamine (PubChem CID 65313666) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-ethyl-1-(4-methoxy-2-methylphenyl)-2-propoxyethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-methoxy-2-methylphenyl)-2-propoxyethanamine
PubChem CID65313666
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-ethyl-1-(4-methoxy-2-methylphenyl)-2-propoxyethanamine
SMILESCCCOCC(NCC)c1ccc(OC)cc1C
InChIInChI=1S/C15H25NO2/c1-5-9-18-11-15(16-6-2)14-8-7-13(17-4)10-12(14)3/h7-8,10,15-16H,5-6,9,11H2,1-4H3
InChIKeyONYIEBOSJOEZOT-UHFFFAOYSA-N
XLogP3.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxy-2-methylphenyl)-2-propoxyethanol
CID 65313194
1-(2,4-dimethylphenyl)-N-ethyl-2-hexoxyethanamine
CID 63475828
N-ethyl-1-(4-methoxy-2-methylphenyl)-2-(2-methylpropylsulfanyl)ethanamine
CID 65318131
1-(2,4-dimethylphenyl)-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447398
[1-(2-fluoro-4-methoxyphenyl)-2-propoxyethyl]hydrazine
CID 105256812
N-ethyl-1-(4-methoxy-2-methylphenyl)-3-pyridin-4-ylpropan-1-amine
CID 105115672
N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine
CID 43490085
1-(2-bromo-5-methoxyphenyl)-2-ethoxy-N-ethylethanamine
CID 105164999
3-(2,2-difluoroethoxy)-1-(4-methoxy-2-methylphenyl)-N-methylpropan-1-amine
CID 103149230
1-(2,4-dimethylphenyl)-N-ethyl-2-(4-methylpentoxy)ethanamine
CID 63475815
2-cyclohexylsulfanyl-N-ethyl-1-(4-methoxy-2-methylphenyl)ethanamine
CID 65318326
1-(2,4-dimethylphenyl)-N-ethyl-2-(4-methylphenoxy)ethanamine
CID 63474182

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methoxy-2-methylphenyl)-2-propoxyethanamine?
The IUPAC name of N-ethyl-1-(4-methoxy-2-methylphenyl)-2-propoxyethanamine (CID 65313666) is N-ethyl-1-(4-methoxy-2-methylphenyl)-2-propoxyethanamine.
What is the SMILES notation for N-ethyl-1-(4-methoxy-2-methylphenyl)-2-propoxyethanamine?
The canonical SMILES for N-ethyl-1-(4-methoxy-2-methylphenyl)-2-propoxyethanamine is CCCOCC(NCC)c1ccc(OC)cc1C.
What is the InChIKey of N-ethyl-1-(4-methoxy-2-methylphenyl)-2-propoxyethanamine?
The InChIKey is ONYIEBOSJOEZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-9-18-11-15(16-6-2)14-8-7-13(17-4)10-12(14)3/h7-8,10,15-16H,5-6,9,11H2,1-4H3.
What are the key properties of N-ethyl-1-(4-methoxy-2-methylphenyl)-2-propoxyethanamine?
N-ethyl-1-(4-methoxy-2-methylphenyl)-2-propoxyethanamine has a molecular weight of 251.37 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methoxy-2-methylphenyl)-2-propoxyethanamine is sourced from PubChem (CID 65313666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).