2-ethoxy-N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]ethanamine

C17H30N2O2 — CID 63692328

IUPAC2-ethoxy-N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]ethanamine
SMILESCCNCc1cccc(OCCN(CC)CCOCC)c1
InChIInChI=1S/C17H30N2O2/c1-4-18-15-16-8-7-9-17(14-16)21-13-11-19(5-2)10-12-20-6-3/h7-9,14,18H,4-6,10-13,15H2,1-3H3
InChIKeyJJOGOKRAZPULFH-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.53
Rot. Bonds12

About 2-ethoxy-N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]ethanamine

2-ethoxy-N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]ethanamine (PubChem CID 63692328) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]ethanamine
PubChem CID63692328
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name2-ethoxy-N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]ethanamine
SMILESCCNCc1cccc(OCCN(CC)CCOCC)c1
InChIInChI=1S/C17H30N2O2/c1-4-18-15-16-8-7-9-17(14-16)21-13-11-19(5-2)10-12-20-6-3/h7-9,14,18H,4-6,10-13,15H2,1-3H3
InChIKeyJJOGOKRAZPULFH-UHFFFAOYSA-N
XLogP2.53
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-ethoxy-N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]ethanamine 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-ethoxyethoxy)phenyl]methyl]ethanamine
CID 43457063
N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-2-methylprop-2-en-1-amine
CID 62418026
N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]propan-2-amine
CID 55074731
N,N-diethyl-2-[[3-(ethylaminomethyl)phenyl]methoxy]ethanamine
CID 62460949
N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]butan-2-amine
CID 62421824
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 62450058
N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine
CID 104560645
N',N'-diethyl-N-[[3-(2-phenoxyethoxy)phenyl]methyl]ethane-1,2-diamine
CID 54803492
2-ethoxy-N-ethyl-N-[2-[2-(ethylaminomethyl)phenoxy]ethyl]ethanamine
CID 63691254
2-ethoxy-N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylethanamine
CID 81068359
2-cyano-N-[[3-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide
CID 22687978

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]ethanamine?
The IUPAC name of 2-ethoxy-N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]ethanamine (CID 63692328) is 2-ethoxy-N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]ethanamine.
What is the SMILES notation for 2-ethoxy-N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]ethanamine?
The canonical SMILES for 2-ethoxy-N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]ethanamine is CCNCc1cccc(OCCN(CC)CCOCC)c1.
What is the InChIKey of 2-ethoxy-N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]ethanamine?
The InChIKey is JJOGOKRAZPULFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-4-18-15-16-8-7-9-17(14-16)21-13-11-19(5-2)10-12-20-6-3/h7-9,14,18H,4-6,10-13,15H2,1-3H3.
What are the key properties of 2-ethoxy-N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]ethanamine?
2-ethoxy-N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]ethanamine has a molecular weight of 294.44 g/mol, XLogP of 2.53, 12 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-[3-(ethylaminomethyl)phenoxy]ethyl]ethanamine is sourced from PubChem (CID 63692328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).