1-(2,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine

C14H23NO3 — CID 82720480

IUPAC1-(2,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCOc1ccc(C(C)NOC(C)(C)C)c(OC)c1
InChIInChI=1S/C14H23NO3/c1-10(15-18-14(2,3)4)12-8-7-11(16-5)9-13(12)17-6/h7-10,15H,1-6H3
InChIKeyDZYDQCCEXXPUSW-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.08
Rot. Bonds5

About 1-(2,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine

1-(2,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine (PubChem CID 82720480) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
PubChem CID82720480
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(2,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCOc1ccc(C(C)NOC(C)(C)C)c(OC)c1
InChIInChI=1S/C14H23NO3/c1-10(15-18-14(2,3)4)12-8-7-11(16-5)9-13(12)17-6/h7-10,15H,1-6H3
InChIKeyDZYDQCCEXXPUSW-UHFFFAOYSA-N
XLogP3.08
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]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-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82719560
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
methyl 2-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropanoate
CID 43726039
[1-(2,4-dimethoxyphenyl)-2,2-dimethylpropyl]hydrazine
CID 105203197
2-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-2-methylbutan-1-ol
CID 81412732
2-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropanamide
CID 61218248
3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropane-1,2-diol
CID 66169659
(1R)-N-[1-(2,4-dimethoxyphenyl)ethyl]-1-phenylethanamine
CID 81350448
N-[1-(2,4-dimethoxyphenyl)ethyl]but-2-yn-1-amine
CID 115896882
N-[1-(2,4-dimethoxyphenyl)ethyl]-2,2-difluoroethanamine
CID 113303579
4-[1-(2,4-dimethoxyphenyl)ethylamino]-3,3-dimethylbutan-1-ol
CID 103787619
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine (CID 82720480) is 1-(2,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine is COc1ccc(C(C)NOC(C)(C)C)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine?
The InChIKey is DZYDQCCEXXPUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-10(15-18-14(2,3)4)12-8-7-11(16-5)9-13(12)17-6/h7-10,15H,1-6H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine?
1-(2,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine has a molecular weight of 253.34 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine is sourced from PubChem (CID 82720480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).