N-(2-methoxyethoxy)-1-(4-methylphenyl)ethanamine

C12H19NO2 — CID 82715665

IUPACN-(2-methoxyethoxy)-1-(4-methylphenyl)ethanamine
SMILESCOCCONC(C)c1ccc(C)cc1
InChIInChI=1S/C12H19NO2/c1-10-4-6-12(7-5-10)11(2)13-15-9-8-14-3/h4-7,11,13H,8-9H2,1-3H3
InChIKeyLYHOALPELUHFSY-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.22
Rot. Bonds6

About N-(2-methoxyethoxy)-1-(4-methylphenyl)ethanamine

N-(2-methoxyethoxy)-1-(4-methylphenyl)ethanamine (PubChem CID 82715665) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-1-(4-methylphenyl)ethanamine
PubChem CID82715665
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-(2-methoxyethoxy)-1-(4-methylphenyl)ethanamine
SMILESCOCCONC(C)c1ccc(C)cc1
InChIInChI=1S/C12H19NO2/c1-10-4-6-12(7-5-10)11(2)13-15-9-8-14-3/h4-7,11,13H,8-9H2,1-3H3
InChIKeyLYHOALPELUHFSY-UHFFFAOYSA-N
XLogP2.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethoxy)-1-(4-methylphenyl)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-(4-methylphenyl)-N-(2-methylpropoxy)ethanamine
CID 82710974
N-(2-methoxyethoxy)-1-(4-nitrophenyl)ethanamine
CID 82714520
(1S)-N-(2-methoxyethyl)-1-(4-methylphenyl)ethanamine
CID 26601188
(1R)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methylphenyl)ethanamine
CID 81357099
1-(4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82710680
2-methoxy-4-[1-(2-methoxyethoxyamino)ethyl]phenol
CID 82714303
2-[1-(2-methoxyethoxyamino)ethyl]benzene-1,3-diol
CID 107711189
4-methoxy-2,2-dimethyl-N-[1-(4-methylphenyl)ethyl]butan-1-amine
CID 104628706
N-(2-methoxyethoxy)-1-(3-methylthiophen-2-yl)ethanamine
CID 82712468
(1S)-N-[2-(3-methoxypropoxy)ethyl]-1-(4-methylphenyl)ethanamine
CID 103179242
N'-(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 82949092
4-methoxy-N-methyl-1-(4-methylphenyl)butan-1-amine
CID 62602221

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-1-(4-methylphenyl)ethanamine?
The IUPAC name of N-(2-methoxyethoxy)-1-(4-methylphenyl)ethanamine (CID 82715665) is N-(2-methoxyethoxy)-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for N-(2-methoxyethoxy)-1-(4-methylphenyl)ethanamine?
The canonical SMILES for N-(2-methoxyethoxy)-1-(4-methylphenyl)ethanamine is COCCONC(C)c1ccc(C)cc1.
What is the InChIKey of N-(2-methoxyethoxy)-1-(4-methylphenyl)ethanamine?
The InChIKey is LYHOALPELUHFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10-4-6-12(7-5-10)11(2)13-15-9-8-14-3/h4-7,11,13H,8-9H2,1-3H3.
What are the key properties of N-(2-methoxyethoxy)-1-(4-methylphenyl)ethanamine?
N-(2-methoxyethoxy)-1-(4-methylphenyl)ethanamine has a molecular weight of 209.29 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 82715665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).