2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine

C19H30N2 — CID 82752329

IUPAC2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine
SMILESCNC(CN1CCC2CCCCC21)c1ccc(C)c(C)c1
InChIInChI=1S/C19H30N2/c1-14-8-9-17(12-15(14)2)18(20-3)13-21-11-10-16-6-4-5-7-19(16)21/h8-9,12,16,18-20H,4-7,10-11,13H2,1-3H3
InChIKeyFRALFTXJJUHMMQ-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.83
Rot. Bonds4

About 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine

2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine (PubChem CID 82752329) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine
PubChem CID82752329
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine
SMILESCNC(CN1CCC2CCCCC21)c1ccc(C)c(C)c1
InChIInChI=1S/C19H30N2/c1-14-8-9-17(12-15(14)2)18(20-3)13-21-11-10-16-6-4-5-7-19(16)21/h8-9,12,16,18-20H,4-7,10-11,13H2,1-3H3
InChIKeyFRALFTXJJUHMMQ-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine with MolForge

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Related Compounds

2-(cyclopentylmethoxy)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 66321330
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-1-phenylethanamine
CID 82746306
1-(3,4-dimethylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)-N-methylethanamine
CID 63220037
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-methylbutan-2-amine
CID 82747657
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 103532454
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propan-2-ol
CID 82749699
1-[2-(3,4-dimethylphenyl)-2-(methylamino)ethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79178951
2-cyclohexylsulfonyl-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 64675399
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N,2-dimethylpropan-1-amine
CID 82749934
(2R)-2-(3,4-dimethylphenyl)-2-(methylamino)ethanol
CID 93471271
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(4-methoxyphenyl)ethanamine
CID 82747780
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 43480253

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine?
The IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine (CID 82752329) is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine is CNC(CN1CCC2CCCCC21)c1ccc(C)c(C)c1.
What is the InChIKey of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine?
The InChIKey is FRALFTXJJUHMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-14-8-9-17(12-15(14)2)18(20-3)13-21-11-10-16-6-4-5-7-19(16)21/h8-9,12,16,18-20H,4-7,10-11,13H2,1-3H3.
What are the key properties of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine?
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine has a molecular weight of 286.46 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 82752329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).