1-(3,4-dimethylphenyl)-2-(2-methoxyethoxy)ethanamine

C13H21NO2 — CID 43184533

IUPAC1-(3,4-dimethylphenyl)-2-(2-methoxyethoxy)ethanamine
SMILESCOCCOCC(N)c1ccc(C)c(C)c1
InChIInChI=1S/C13H21NO2/c1-10-4-5-12(8-11(10)2)13(14)9-16-7-6-15-3/h4-5,8,13H,6-7,9,14H2,1-3H3
InChIKeyVDDDFLPTIFQBSJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.97
Rot. Bonds6

About 1-(3,4-dimethylphenyl)-2-(2-methoxyethoxy)ethanamine

1-(3,4-dimethylphenyl)-2-(2-methoxyethoxy)ethanamine (PubChem CID 43184533) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-(2-methoxyethoxy)ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-(2-methoxyethoxy)ethanamine
PubChem CID43184533
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(3,4-dimethylphenyl)-2-(2-methoxyethoxy)ethanamine
SMILESCOCCOCC(N)c1ccc(C)c(C)c1
InChIInChI=1S/C13H21NO2/c1-10-4-5-12(8-11(10)2)13(14)9-16-7-6-15-3/h4-5,8,13H,6-7,9,14H2,1-3H3
InChIKeyVDDDFLPTIFQBSJ-UHFFFAOYSA-N
XLogP1.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3,4-dimethylphenyl)-2-(2-methoxyethoxy)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-(3,4-dimethylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
CID 112587392
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)ethanamine
CID 104560552
1-(3,4-dimethylphenyl)-2-propan-2-yloxyethanamine
CID 43184504
2-(2-cyclobutylethoxy)-1-(3,4-dimethylphenyl)ethanamine
CID 114157408
5-(1-amino-2-methoxyethyl)-2-methylaniline
CID 55293794
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyethoxy)ethanamine
CID 43183932
1-(4-ethylphenyl)-2-(2-methoxyethoxy)ethanamine
CID 43183735
1-(3,4-dimethylphenyl)-2-(2-methoxyethylsulfinyl)ethanamine
CID 64651043
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 104560709
N'-cyclopropyl-1-(3,4-dimethylphenyl)-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 61451709
1-(3,4-dimethylphenyl)-4-methoxypentan-1-amine
CID 105140365
2-(3,4-dimethylphenyl)-1-[4-(2-methoxyethyl)phenyl]ethanamine
CID 62553299

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-(2-methoxyethoxy)ethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-(2-methoxyethoxy)ethanamine (CID 43184533) is 1-(3,4-dimethylphenyl)-2-(2-methoxyethoxy)ethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-(2-methoxyethoxy)ethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-(2-methoxyethoxy)ethanamine is COCCOCC(N)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-(2-methoxyethoxy)ethanamine?
The InChIKey is VDDDFLPTIFQBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10-4-5-12(8-11(10)2)13(14)9-16-7-6-15-3/h4-5,8,13H,6-7,9,14H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-(2-methoxyethoxy)ethanamine?
1-(3,4-dimethylphenyl)-2-(2-methoxyethoxy)ethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-(2-methoxyethoxy)ethanamine is sourced from PubChem (CID 43184533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).