2-ethoxy-N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylethanamine

C15H26N2O — CID 81068359

IUPAC2-ethoxy-N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylethanamine
SMILESCCNCc1cccc(CN(C)CCOCC)c1
InChIInChI=1S/C15H26N2O/c1-4-16-12-14-7-6-8-15(11-14)13-17(3)9-10-18-5-2/h6-8,11,16H,4-5,9-10,12-13H2,1-3H3
InChIKeyLLLLYZINOPIHMZ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.26
Rot. Bonds9

About 2-ethoxy-N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylethanamine

2-ethoxy-N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylethanamine (PubChem CID 81068359) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-ethoxy-N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylethanamine.

Molecular Properties

Compound Name2-ethoxy-N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylethanamine
PubChem CID81068359
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-ethoxy-N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylethanamine
SMILESCCNCc1cccc(CN(C)CCOCC)c1
InChIInChI=1S/C15H26N2O/c1-4-16-12-14-7-6-8-15(11-14)13-17(3)9-10-18-5-2/h6-8,11,16H,4-5,9-10,12-13H2,1-3H3
InChIKeyLLLLYZINOPIHMZ-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethoxy-N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylethanamine 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

N-[[3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 81067727
N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 112665581
N-[[3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62432377
(E)-3-[3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]prop-2-enoic acid
CID 81061711
2-ethoxy-N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]ethanamine
CID 63692328
N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62421924
N,N-diethyl-2-[[3-(ethylaminomethyl)phenyl]methoxy]ethanamine
CID 62460949
N-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine
CID 43457063
N-[[3-(diethylaminomethyl)phenyl]methyl]ethanamine
CID 46785465
3-methoxy-N-methyl-N-[[3-(propylaminomethyl)phenyl]methyl]propan-1-amine
CID 63007765
N-[2-[[3-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-methylcyclopropanamine
CID 102740885
N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylpropan-2-amine
CID 62423900

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylethanamine?
The IUPAC name of 2-ethoxy-N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylethanamine (CID 81068359) is 2-ethoxy-N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylethanamine.
What is the SMILES notation for 2-ethoxy-N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylethanamine?
The canonical SMILES for 2-ethoxy-N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylethanamine is CCNCc1cccc(CN(C)CCOCC)c1.
What is the InChIKey of 2-ethoxy-N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylethanamine?
The InChIKey is LLLLYZINOPIHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-16-12-14-7-6-8-15(11-14)13-17(3)9-10-18-5-2/h6-8,11,16H,4-5,9-10,12-13H2,1-3H3.
What are the key properties of 2-ethoxy-N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylethanamine?
2-ethoxy-N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylethanamine has a molecular weight of 250.39 g/mol, XLogP of 2.26, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylethanamine is sourced from PubChem (CID 81068359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).