2-ethoxy-N-ethyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]ethanamine

C16H28N2O2 — CID 63691253

IUPAC2-ethoxy-N-ethyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]ethanamine
SMILESCCOCCN(CC)CCOc1ccccc1CNC
InChIInChI=1S/C16H28N2O2/c1-4-18(10-12-19-5-2)11-13-20-16-9-7-6-8-15(16)14-17-3/h6-9,17H,4-5,10-14H2,1-3H3
InChIKeyCIMLZNLMGCDREM-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.14
Rot. Bonds11

About 2-ethoxy-N-ethyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]ethanamine

2-ethoxy-N-ethyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]ethanamine (PubChem CID 63691253) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]ethanamine
PubChem CID63691253
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-ethoxy-N-ethyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]ethanamine
SMILESCCOCCN(CC)CCOc1ccccc1CNC
InChIInChI=1S/C16H28N2O2/c1-4-18(10-12-19-5-2)11-13-20-16-9-7-6-8-15(16)14-17-3/h6-9,17H,4-5,10-14H2,1-3H3
InChIKeyCIMLZNLMGCDREM-UHFFFAOYSA-N
XLogP2.14
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-ethyl-N-[2-[2-(ethylaminomethyl)phenoxy]ethyl]ethanamine
CID 63691254
N-[2-[2-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-ethylethanamine
CID 63696644
N,N-dimethyl-2-[2-(methylaminomethyl)phenoxy]ethanamine
CID 18525858
N-ethyl-N-[2-[2-(ethylaminomethyl)phenoxy]ethyl]butan-1-amine
CID 62423150
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]cyclopropanamine
CID 43277400
2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine
CID 16787209
N,N-diethyl-2-[[4-(methylaminomethyl)-3-pyridinyl]oxy]ethanamine
CID 105075378
N,N-dimethyl-3-[2-(methylaminomethyl)phenoxy]propanamide
CID 54879203
4-fluoro-N-methyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]aniline
CID 62434817
(2R)-2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]propanamide
CID 119848384
2-[3-[2-ethoxyethyl(ethyl)amino]propyl]aniline
CID 107274493
N-(2-ethoxyethyl)-N-methyl-2-(methylaminomethyl)benzenesulfonamide
CID 81068198

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]ethanamine?
The IUPAC name of 2-ethoxy-N-ethyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]ethanamine (CID 63691253) is 2-ethoxy-N-ethyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]ethanamine.
What is the SMILES notation for 2-ethoxy-N-ethyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]ethanamine?
The canonical SMILES for 2-ethoxy-N-ethyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]ethanamine is CCOCCN(CC)CCOc1ccccc1CNC.
What is the InChIKey of 2-ethoxy-N-ethyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]ethanamine?
The InChIKey is CIMLZNLMGCDREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-18(10-12-19-5-2)11-13-20-16-9-7-6-8-15(16)14-17-3/h6-9,17H,4-5,10-14H2,1-3H3.
What are the key properties of 2-ethoxy-N-ethyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]ethanamine?
2-ethoxy-N-ethyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]ethanamine has a molecular weight of 280.41 g/mol, XLogP of 2.14, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]ethanamine is sourced from PubChem (CID 63691253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).