1-[2-(2-methoxyethoxy)-4-methylphenyl]-N-methylethanamine

C13H21NO2 — CID 63640120

IUPAC1-[2-(2-methoxyethoxy)-4-methylphenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(C)cc1OCCOC
InChIInChI=1S/C13H21NO2/c1-10-5-6-12(11(2)14-3)13(9-10)16-8-7-15-4/h5-6,9,11,14H,7-8H2,1-4H3
InChIKeyOJOVTCGBBFPGMV-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.30
Rot. Bonds6

About 1-[2-(2-methoxyethoxy)-4-methylphenyl]-N-methylethanamine

1-[2-(2-methoxyethoxy)-4-methylphenyl]-N-methylethanamine (PubChem CID 63640120) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)-4-methylphenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)-4-methylphenyl]-N-methylethanamine
PubChem CID63640120
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-[2-(2-methoxyethoxy)-4-methylphenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(C)cc1OCCOC
InChIInChI=1S/C13H21NO2/c1-10-5-6-12(11(2)14-3)13(9-10)16-8-7-15-4/h5-6,9,11,14H,7-8H2,1-4H3
InChIKeyOJOVTCGBBFPGMV-UHFFFAOYSA-N
XLogP2.30
TPSA30.49 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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxy-4-methylphenyl)-N-methylethanamine
CID 63639272
N-[1-[2-(2-methoxyethoxy)-4-methylphenyl]ethyl]propan-1-amine
CID 55246297
(1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanol
CID 78962768
N-methyl-1-[4-methyl-2-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 63638936
N,N-dimethyl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63639445
N-ethyl-1-[2-[2-(3-methoxypropoxy)ethoxy]-4-methylphenyl]ethanamine
CID 103177842
2,2-dimethyl-3-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]propanoic acid
CID 79630191
N-(3-methylbutan-2-yl)-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63638956
(1R)-1-[2-(4-methoxybutoxy)-4-methylphenyl]ethanamine
CID 104647105
1-[2-(2-ethoxyethoxy)-4-methylphenyl]-N-ethylethanamine
CID 63640644
N-ethyl-1-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine
CID 43505142
1-[2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one
CID 82898565

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)-4-methylphenyl]-N-methylethanamine?
The IUPAC name of 1-[2-(2-methoxyethoxy)-4-methylphenyl]-N-methylethanamine (CID 63640120) is 1-[2-(2-methoxyethoxy)-4-methylphenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)-4-methylphenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(2-methoxyethoxy)-4-methylphenyl]-N-methylethanamine is CNC(C)c1ccc(C)cc1OCCOC.
What is the InChIKey of 1-[2-(2-methoxyethoxy)-4-methylphenyl]-N-methylethanamine?
The InChIKey is OJOVTCGBBFPGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10-5-6-12(11(2)14-3)13(9-10)16-8-7-15-4/h5-6,9,11,14H,7-8H2,1-4H3.
What are the key properties of 1-[2-(2-methoxyethoxy)-4-methylphenyl]-N-methylethanamine?
1-[2-(2-methoxyethoxy)-4-methylphenyl]-N-methylethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)-4-methylphenyl]-N-methylethanamine is sourced from PubChem (CID 63640120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).