1-(2,4-dimethoxyphenyl)-N-methyl-2-pentan-2-yloxyethanamine

C16H27NO3 — CID 102981296

IUPAC1-(2,4-dimethoxyphenyl)-N-methyl-2-pentan-2-yloxyethanamine
SMILESCCCC(C)OCC(NC)c1ccc(OC)cc1OC
InChIInChI=1S/C16H27NO3/c1-6-7-12(2)20-11-15(17-3)14-9-8-13(18-4)10-16(14)19-5/h8-10,12,15,17H,6-7,11H2,1-5H3
InChIKeyXHKWMYMWDICWIQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.17
Rot. Bonds9

About 1-(2,4-dimethoxyphenyl)-N-methyl-2-pentan-2-yloxyethanamine

1-(2,4-dimethoxyphenyl)-N-methyl-2-pentan-2-yloxyethanamine (PubChem CID 102981296) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-methyl-2-pentan-2-yloxyethanamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-methyl-2-pentan-2-yloxyethanamine
PubChem CID102981296
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-(2,4-dimethoxyphenyl)-N-methyl-2-pentan-2-yloxyethanamine
SMILESCCCC(C)OCC(NC)c1ccc(OC)cc1OC
InChIInChI=1S/C16H27NO3/c1-6-7-12(2)20-11-15(17-3)14-9-8-13(18-4)10-16(14)19-5/h8-10,12,15,17H,6-7,11H2,1-5H3
InChIKeyXHKWMYMWDICWIQ-UHFFFAOYSA-N
XLogP3.17
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-dimethoxyphenyl)-N-methyl-2-pentan-2-yloxyethanamine 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-(2,5-dimethoxyphenyl)-N-methyl-2-pentan-2-yloxyethanamine
CID 102981353
1-(2,4-dimethoxyphenyl)-N-methylheptan-1-amine
CID 114752343
4-(2,4-dimethoxyphenyl)-4-(methylamino)butan-1-ol
CID 116952940
1-(2,4-dimethoxyphenyl)-2-methoxy-N-methylpentan-1-amine
CID 116718984
1-(2,4-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 43483666
2-butan-2-ylsulfonyl-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 64646885
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylpropylsulfinyl)ethanamine
CID 64651646
1-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43561904
(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine
CID 93079729
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylpentan-1-amine
CID 43674264
1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43496056

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-methyl-2-pentan-2-yloxyethanamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-methyl-2-pentan-2-yloxyethanamine (CID 102981296) is 1-(2,4-dimethoxyphenyl)-N-methyl-2-pentan-2-yloxyethanamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-methyl-2-pentan-2-yloxyethanamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-methyl-2-pentan-2-yloxyethanamine is CCCC(C)OCC(NC)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-methyl-2-pentan-2-yloxyethanamine?
The InChIKey is XHKWMYMWDICWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-6-7-12(2)20-11-15(17-3)14-9-8-13(18-4)10-16(14)19-5/h8-10,12,15,17H,6-7,11H2,1-5H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-methyl-2-pentan-2-yloxyethanamine?
1-(2,4-dimethoxyphenyl)-N-methyl-2-pentan-2-yloxyethanamine has a molecular weight of 281.40 g/mol, XLogP of 3.17, 9 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-methyl-2-pentan-2-yloxyethanamine is sourced from PubChem (CID 102981296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).