2-(4-ethoxy-3-methylphenyl)-N-(methoxymethyl)-N-methylethanamine

C14H23NO2 — CID 115259024

IUPAC2-(4-ethoxy-3-methylphenyl)-N-(methoxymethyl)-N-methylethanamine
SMILESCCOc1ccc(CCN(C)COC)cc1C
InChIInChI=1S/C14H23NO2/c1-5-17-14-7-6-13(10-12(14)2)8-9-15(3)11-16-4/h6-7,10H,5,8-9,11H2,1-4H3
InChIKeyFMLZTKFUJBKELO-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.47
Rot. Bonds7

About 2-(4-ethoxy-3-methylphenyl)-N-(methoxymethyl)-N-methylethanamine

2-(4-ethoxy-3-methylphenyl)-N-(methoxymethyl)-N-methylethanamine (PubChem CID 115259024) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(4-ethoxy-3-methylphenyl)-N-(methoxymethyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-ethoxy-3-methylphenyl)-N-(methoxymethyl)-N-methylethanamine
PubChem CID115259024
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(4-ethoxy-3-methylphenyl)-N-(methoxymethyl)-N-methylethanamine
SMILESCCOc1ccc(CCN(C)COC)cc1C
InChIInChI=1S/C14H23NO2/c1-5-17-14-7-6-13(10-12(14)2)8-9-15(3)11-16-4/h6-7,10H,5,8-9,11H2,1-4H3
InChIKeyFMLZTKFUJBKELO-UHFFFAOYSA-N
XLogP2.47
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(methoxymethyl)-2-(4-methoxy-3-methylphenyl)-N-methylethanamine
CID 115258978
2-(3-chloro-4-ethoxyphenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115259026
4-[2-(4-ethoxy-3-methylphenyl)ethyl-methylamino]butan-2-one
CID 115236050
2-[2-(4-ethoxy-3-methylphenyl)ethyl-methylamino]propanenitrile
CID 115130526
N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 98783803
3-[(4-ethoxy-3-methylphenyl)methyl-methylamino]propane-1-thiol
CID 115225008
1-(4-ethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260951
N-(methoxymethyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 115258645
4-(4-ethoxy-3-methylphenyl)-2-methylbutan-2-amine
CID 96659154
3-(4-ethoxy-3-methylphenyl)-N-methylpropan-1-amine
CID 95439947
N'-[2-(4-ethoxy-3-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 115195519
2-[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]acetaldehyde
CID 115223336

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3-methylphenyl)-N-(methoxymethyl)-N-methylethanamine?
The IUPAC name of 2-(4-ethoxy-3-methylphenyl)-N-(methoxymethyl)-N-methylethanamine (CID 115259024) is 2-(4-ethoxy-3-methylphenyl)-N-(methoxymethyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-ethoxy-3-methylphenyl)-N-(methoxymethyl)-N-methylethanamine?
The canonical SMILES for 2-(4-ethoxy-3-methylphenyl)-N-(methoxymethyl)-N-methylethanamine is CCOc1ccc(CCN(C)COC)cc1C.
What is the InChIKey of 2-(4-ethoxy-3-methylphenyl)-N-(methoxymethyl)-N-methylethanamine?
The InChIKey is FMLZTKFUJBKELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-17-14-7-6-13(10-12(14)2)8-9-15(3)11-16-4/h6-7,10H,5,8-9,11H2,1-4H3.
What are the key properties of 2-(4-ethoxy-3-methylphenyl)-N-(methoxymethyl)-N-methylethanamine?
2-(4-ethoxy-3-methylphenyl)-N-(methoxymethyl)-N-methylethanamine has a molecular weight of 237.34 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-3-methylphenyl)-N-(methoxymethyl)-N-methylethanamine is sourced from PubChem (CID 115259024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).