1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine

C18H31NO2 — CID 106447347

IUPAC1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
SMILESCCNC(COCCOCC(C)C)c1cc(C)ccc1C
InChIInChI=1S/C18H31NO2/c1-6-19-18(13-21-10-9-20-12-14(2)3)17-11-15(4)7-8-16(17)5/h7-8,11,14,18-19H,6,9-10,12-13H2,1-5H3
InChIKeyVDRGIMLLKLNLNO-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.64
Rot. Bonds10

About 1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine

1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine (PubChem CID 106447347) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
PubChem CID106447347
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
SMILESCCNC(COCCOCC(C)C)c1cc(C)ccc1C
InChIInChI=1S/C18H31NO2/c1-6-19-18(13-21-10-9-20-12-14(2)3)17-11-15(4)7-8-16(17)5/h7-8,11,14,18-19H,6,9-10,12-13H2,1-5H3
InChIKeyVDRGIMLLKLNLNO-UHFFFAOYSA-N
XLogP3.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]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

1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 104560875
1-(2,4-dimethylphenyl)-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447398
1-(2,5-dimethylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43490798
1-(2,5-dimethylphenyl)-N-ethyl-2-pentan-2-yloxyethanamine
CID 102981309
1-(2,4-dimethylphenyl)-N-ethyl-2-(4-methylpentoxy)ethanamine
CID 63475815
1-(2,5-dimethylphenyl)-N-ethyl-3-propoxypropan-1-amine
CID 105120236
1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 43490783
N-[1-(2,5-dimethylphenyl)ethyl]-3-(2-methylpropoxy)propan-1-amine
CID 43105785
1-(2,4-dimethylphenyl)-N-ethyl-2-hexoxyethanamine
CID 63475828
N-[2-(2,2-difluoroethoxy)-1-(2,5-dimethylphenyl)ethyl]propan-1-amine
CID 82004844
N-[1-(2,4-dimethylphenyl)-2-(3-methylbutoxy)ethyl]propan-1-amine
CID 63474013
1-(5-bromo-2-methylphenyl)-2-ethoxy-N-ethylethanamine
CID 105007898

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine (CID 106447347) is 1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine is CCNC(COCCOCC(C)C)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine?
The InChIKey is VDRGIMLLKLNLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-6-19-18(13-21-10-9-20-12-14(2)3)17-11-15(4)7-8-16(17)5/h7-8,11,14,18-19H,6,9-10,12-13H2,1-5H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine?
1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine has a molecular weight of 293.45 g/mol, XLogP of 3.64, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine is sourced from PubChem (CID 106447347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).