2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4,6-trimethylphenyl)ethanamine

C17H28N2O2 — CID 103532480

IUPAC2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCOC1CN(CC(N)c2c(C)cc(C)cc2C)CC1OC
InChIInChI=1S/C17H28N2O2/c1-11-6-12(2)17(13(3)7-11)14(18)8-19-9-15(20-4)16(10-19)21-5/h6-7,14-16H,8-10,18H2,1-5H3
InChIKeyPLQIXBACWLMHJG-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.96
Rot. Bonds5

About 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4,6-trimethylphenyl)ethanamine

2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 103532480) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID103532480
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCOC1CN(CC(N)c2c(C)cc(C)cc2C)CC1OC
InChIInChI=1S/C17H28N2O2/c1-11-6-12(2)17(13(3)7-11)14(18)8-19-9-15(20-4)16(10-19)21-5/h6-7,14-16H,8-10,18H2,1-5H3
InChIKeyPLQIXBACWLMHJG-UHFFFAOYSA-N
XLogP1.96
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4,6-trimethylphenyl)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

2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,5-dimethylphenyl)ethanamine
CID 103532436
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 64569538
2-(3-methylpiperidin-1-yl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43107360
2-(2-ethylmorpholin-4-yl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43562607
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4-dimethylphenyl)ethanol
CID 103537734
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 103532454
4-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one
CID 16790701
1-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79178954
2-(3-methoxy-4-methylpiperidin-1-yl)-1-(4-methylphenyl)ethanamine
CID 102965335
1-(3,5-difluorophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine
CID 103539184
3-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 116939906
(1R)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517545

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4,6-trimethylphenyl)ethanamine (CID 103532480) is 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4,6-trimethylphenyl)ethanamine is COC1CN(CC(N)c2c(C)cc(C)cc2C)CC1OC.
What is the InChIKey of 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is PLQIXBACWLMHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-11-6-12(2)17(13(3)7-11)14(18)8-19-9-15(20-4)16(10-19)21-5/h6-7,14-16H,8-10,18H2,1-5H3.
What are the key properties of 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4,6-trimethylphenyl)ethanamine?
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 292.42 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 103532480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).