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

C17H29NO3 — CID 104560875

IUPAC1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
SMILESCCNC(COCCOCCOC)c1cc(C)ccc1C
InChIInChI=1S/C17H29NO3/c1-5-18-17(13-21-11-10-20-9-8-19-4)16-12-14(2)6-7-15(16)3/h6-7,12,17-18H,5,8-11,13H2,1-4H3
InChIKeyNYCPNTYJEMDUNQ-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.63
Rot. Bonds11

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

1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine (PubChem CID 104560875) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
PubChem CID104560875
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
SMILESCCNC(COCCOCCOC)c1cc(C)ccc1C
InChIInChI=1S/C17H29NO3/c1-5-18-17(13-21-11-10-20-9-8-19-4)16-12-14(2)6-7-15(16)3/h6-7,12,17-18H,5,8-11,13H2,1-4H3
InChIKeyNYCPNTYJEMDUNQ-UHFFFAOYSA-N
XLogP2.63
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methoxyethoxy)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-methylpropoxy)ethoxy]ethanamine
CID 106447347
1-(2,5-dimethylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 104564698
1-(2,4-dimethylphenyl)-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447398
N-ethyl-3-(2-methoxyethoxy)-1-(2-methoxy-5-methylphenyl)propan-1-amine
CID 102928464
1-(2,5-dimethylphenyl)-N-ethyl-3-propoxypropan-1-amine
CID 105120236
1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 43490783
1-(2,5-dimethylphenyl)-N-ethyl-2-pentan-2-yloxyethanamine
CID 102981309
ethyl 3-(2,5-dimethylphenyl)-3-(ethylamino)propanoate
CID 65233713
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
1-(2,4-dimethylphenyl)-N-ethyl-2-(4-methylpentoxy)ethanamine
CID 63475815
N-ethyl-1-(2-methoxy-5-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethanamine
CID 82961009

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine (CID 104560875) is 1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine is CCNC(COCCOCCOC)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine?
The InChIKey is NYCPNTYJEMDUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-5-18-17(13-21-11-10-20-9-8-19-4)16-12-14(2)6-7-15(16)3/h6-7,12,17-18H,5,8-11,13H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine?
1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine has a molecular weight of 295.42 g/mol, XLogP of 2.63, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine is sourced from PubChem (CID 104560875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).