3-ethoxypropyl-[(3-methoxyphenyl)methyl]azanium

C13H22NO2+ — CID 4105920

IUPAC3-ethoxypropyl-[(3-methoxyphenyl)methyl]azanium
SMILESCCOCCC[NH2+]Cc1cccc(OC)c1
InChIInChI=1S/C13H21NO2/c1-3-16-9-5-8-14-11-12-6-4-7-13(10-12)15-2/h4,6-7,10,14H,3,5,8-9,11H2,1-2H3/p+1
InChIKeyAHTKOIUQMVSPOY-UHFFFAOYSA-O
MW224.32 g/mol
LogP1.19
Rot. Bonds8

About 3-ethoxypropyl-[(3-methoxyphenyl)methyl]azanium

3-ethoxypropyl-[(3-methoxyphenyl)methyl]azanium (PubChem CID 4105920) has the molecular formula C13H22NO2+ and a molecular weight of 224.32 g/mol. Its IUPAC name is 3-ethoxypropyl-[(3-methoxyphenyl)methyl]azanium.

Molecular Properties

Compound Name3-ethoxypropyl-[(3-methoxyphenyl)methyl]azanium
PubChem CID4105920
Molecular FormulaC13H22NO2+
Molecular Weight224.32 g/mol
Exact Mass224.16
IUPAC Name3-ethoxypropyl-[(3-methoxyphenyl)methyl]azanium
SMILESCCOCCC[NH2+]Cc1cccc(OC)c1
InChIInChI=1S/C13H21NO2/c1-3-16-9-5-8-14-11-12-6-4-7-13(10-12)15-2/h4,6-7,10,14H,3,5,8-9,11H2,1-2H3/p+1
InChIKeyAHTKOIUQMVSPOY-UHFFFAOYSA-O
XLogP1.19
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-ethoxy-1-(3-methoxyphenyl)pentan-2-one
CID 105088612
5-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]pentan-1-amine
CID 65180749
1-(3-ethoxypropoxy)-3-ethylbenzene
CID 65178127
N-(3-ethoxypropyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62556922
1-(3-ethoxypropyl)-3-[(3-methoxyphenyl)methyl]-2-methylguanidine
CID 111222977
1-ethyl-3-methoxybenzene;hydrofluoride
CID 174493623
[3-(3-ethoxypropoxy)phenyl]methanamine
CID 43253998
4-ethoxy-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 62529202
1-(3-ethoxypropyl)-3-[3-(3-methoxyphenyl)propyl]-2-methylguanidine;hydroiodide
CID 111224346
[4-ethoxy-1-(3-methoxyphenyl)butan-2-yl]hydrazine
CID 105295390
3-(3-methoxyphenyl)propyl-[3-(4-methoxyphenyl)propyl]azanium chloride
CID 110184914
2-methoxyethyl-[(3-phenylmethoxyphenyl)methyl]azanium
CID 7324179

Frequently Asked Questions

What is the IUPAC name of 3-ethoxypropyl-[(3-methoxyphenyl)methyl]azanium?
The IUPAC name of 3-ethoxypropyl-[(3-methoxyphenyl)methyl]azanium (CID 4105920) is 3-ethoxypropyl-[(3-methoxyphenyl)methyl]azanium.
What is the SMILES notation for 3-ethoxypropyl-[(3-methoxyphenyl)methyl]azanium?
The canonical SMILES for 3-ethoxypropyl-[(3-methoxyphenyl)methyl]azanium is CCOCCC[NH2+]Cc1cccc(OC)c1.
What is the InChIKey of 3-ethoxypropyl-[(3-methoxyphenyl)methyl]azanium?
The InChIKey is AHTKOIUQMVSPOY-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H21NO2/c1-3-16-9-5-8-14-11-12-6-4-7-13(10-12)15-2/h4,6-7,10,14H,3,5,8-9,11H2,1-2H3/p+1.
What are the key properties of 3-ethoxypropyl-[(3-methoxyphenyl)methyl]azanium?
3-ethoxypropyl-[(3-methoxyphenyl)methyl]azanium has a molecular weight of 224.32 g/mol, XLogP of 1.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxypropyl-[(3-methoxyphenyl)methyl]azanium is sourced from PubChem (CID 4105920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).