3-methoxy-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylaniline

C14H23NO3 — CID 112752565

IUPAC3-methoxy-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylaniline
SMILESCOCCOCCNc1ccc(C)c(OC)c1C
InChIInChI=1S/C14H23NO3/c1-11-5-6-13(12(2)14(11)17-4)15-7-8-18-10-9-16-3/h5-6,15H,7-10H2,1-4H3
InChIKeyZDDAJZWFFOSIPB-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.39
Rot. Bonds8

About 3-methoxy-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylaniline

3-methoxy-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylaniline (PubChem CID 112752565) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-methoxy-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylaniline.

Molecular Properties

Compound Name3-methoxy-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylaniline
PubChem CID112752565
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-methoxy-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylaniline
SMILESCOCCOCCNc1ccc(C)c(OC)c1C
InChIInChI=1S/C14H23NO3/c1-11-5-6-13(12(2)14(11)17-4)15-7-8-18-10-9-16-3/h5-6,15H,7-10H2,1-4H3
InChIKeyZDDAJZWFFOSIPB-UHFFFAOYSA-N
XLogP2.39
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methoxy-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylaniline 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

2,4-dimethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561339
N-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylaniline
CID 103178461
N-(2-ethylbutyl)-3-methoxy-2,4-dimethylaniline
CID 43738989
N-(3-methoxy-2,4-dimethylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119728792
2-[2-(2-methoxyethoxy)ethylamino]-6-methylbenzonitrile
CID 114003061
3-N-[2-(2-methoxyethoxy)ethyl]pyridine-2,3-diamine
CID 104540211
N-[(2,6-difluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline
CID 43738958
2-methoxy-N-[3-(2-methoxyethoxy)propyl]-5-methylaniline
CID 103409333
2-bromo-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,6-dimethylaniline
CID 104562698
2,5-dichloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561306
N-[(4-bromo-3-methylphenyl)methyl]-3-methoxy-2,4-dimethylaniline
CID 66473407
N-(3-methoxy-2,4-dimethylphenyl)formamide
CID 64992554

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylaniline?
The IUPAC name of 3-methoxy-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylaniline (CID 112752565) is 3-methoxy-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylaniline.
What is the SMILES notation for 3-methoxy-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylaniline?
The canonical SMILES for 3-methoxy-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylaniline is COCCOCCNc1ccc(C)c(OC)c1C.
What is the InChIKey of 3-methoxy-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylaniline?
The InChIKey is ZDDAJZWFFOSIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-11-5-6-13(12(2)14(11)17-4)15-7-8-18-10-9-16-3/h5-6,15H,7-10H2,1-4H3.
What are the key properties of 3-methoxy-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylaniline?
3-methoxy-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylaniline has a molecular weight of 253.34 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylaniline is sourced from PubChem (CID 112752565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).