(3-ethoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium

C15H26N2O2+2 — CID 7248498

IUPAC(3-ethoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium
SMILESCCOc1cccc(C[NH2+]CC[NH+]2CCOCC2)c1
InChIInChI=1S/C15H24N2O2/c1-2-19-15-5-3-4-14(12-15)13-16-6-7-17-8-10-18-11-9-17/h3-5,12,16H,2,6-11,13H2,1H3/p+2
InChIKeyDBVGFUXWZIPTOJ-UHFFFAOYSA-P
MW266.38 g/mol
LogP-0.94
Rot. Bonds7

About (3-ethoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium

(3-ethoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium (PubChem CID 7248498) has the molecular formula C15H26N2O2+2 and a molecular weight of 266.38 g/mol. Its IUPAC name is (3-ethoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium.

Molecular Properties

Compound Name(3-ethoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium
PubChem CID7248498
Molecular FormulaC15H26N2O2+2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name(3-ethoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium
SMILESCCOc1cccc(C[NH2+]CC[NH+]2CCOCC2)c1
InChIInChI=1S/C15H24N2O2/c1-2-19-15-5-3-4-14(12-15)13-16-6-7-17-8-10-18-11-9-17/h3-5,12,16H,2,6-11,13H2,1H3/p+2
InChIKeyDBVGFUXWZIPTOJ-UHFFFAOYSA-P
XLogP-0.94
TPSA39.51 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3-ethoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-chloro-4,5-diethoxyphenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium
CID 7458493
(2-hydroxy-3-methoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium
CID 7263976
4-[(3-phenylmethoxyphenyl)methyl]morpholin-4-ium
CID 7315778
4-[(4-ethoxyphenyl)methyl]morpholin-4-ium
CID 6942864
4-[3-(3-chlorophenoxy)propyl]morpholin-4-ium chloride
CID 110175302
(2-bromo-4,5-diethoxyphenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium
CID 2215032
4-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]morpholin-4-ium
CID 2298140
4-[3-[3-[(2S)-butan-2-yl]oxyphenoxy]propyl]morpholin-4-ium
CID 7379563
(3-ethoxyphenyl)methanethiol
CID 79885244
3-ethoxypropyl-[(3-methoxyphenyl)methyl]azanium
CID 4105920
4-[2-[2-(3-bromophenoxy)ethoxy]ethyl]morpholin-4-ium
CID 2296505
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-ethoxyphenyl)methanamine
CID 18437826

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium?
The IUPAC name of (3-ethoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium (CID 7248498) is (3-ethoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium.
What is the SMILES notation for (3-ethoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium?
The canonical SMILES for (3-ethoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium is CCOc1cccc(C[NH2+]CC[NH+]2CCOCC2)c1.
What is the InChIKey of (3-ethoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium?
The InChIKey is DBVGFUXWZIPTOJ-UHFFFAOYSA-P. The full InChI is InChI=1S/C15H24N2O2/c1-2-19-15-5-3-4-14(12-15)13-16-6-7-17-8-10-18-11-9-17/h3-5,12,16H,2,6-11,13H2,1H3/p+2.
What are the key properties of (3-ethoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium?
(3-ethoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium has a molecular weight of 266.38 g/mol, XLogP of -0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium is sourced from PubChem (CID 7248498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).