6-[2-(dimethylamino)ethoxy]-4-methyl-1,3-dihydroisoindol-2-amine

C13H21N3O — CID 71104249

IUPAC6-[2-(dimethylamino)ethoxy]-4-methyl-1,3-dihydroisoindol-2-amine
SMILESCc1cc(OCCN(C)C)cc2c1CN(N)C2
InChIInChI=1S/C13H21N3O/c1-10-6-12(17-5-4-15(2)3)7-11-8-16(14)9-13(10)11/h6-7H,4-5,8-9,14H2,1-3H3
InChIKeyXPPOPXJHIQSDQK-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.12
Rot. Bonds4

About 6-[2-(dimethylamino)ethoxy]-4-methyl-1,3-dihydroisoindol-2-amine

6-[2-(dimethylamino)ethoxy]-4-methyl-1,3-dihydroisoindol-2-amine (PubChem CID 71104249) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethoxy]-4-methyl-1,3-dihydroisoindol-2-amine.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethoxy]-4-methyl-1,3-dihydroisoindol-2-amine
PubChem CID71104249
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name6-[2-(dimethylamino)ethoxy]-4-methyl-1,3-dihydroisoindol-2-amine
SMILESCc1cc(OCCN(C)C)cc2c1CN(N)C2
InChIInChI=1S/C13H21N3O/c1-10-6-12(17-5-4-15(2)3)7-11-8-16(14)9-13(10)11/h6-7H,4-5,8-9,14H2,1-3H3
InChIKeyXPPOPXJHIQSDQK-UHFFFAOYSA-N
XLogP1.12
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethylphenoxy)-N,N-dimethylethanamine
CID 82075858
5-[2-(dimethylamino)ethoxy]-2-methylbenzene-1,3-diamine
CID 89324930
5-[2-(dimethylamino)ethoxy]benzene-1,3-diamine
CID 68840526
2-[(7-fluoro-2,3-dihydro-1H-isoindol-5-yl)oxy]-N,N-dimethylethanamine
CID 175827613
2-[[7-[2-(dimethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-dimethylethanamine
CID 11393658
2-(4-ethyl-3-methylphenoxy)-N,N-dimethylethanamine
CID 163472505
2-(2,3-dihydro-1H-isoindol-5-yloxy)-N,N-dimethylethanamine
CID 59263142
2,7-bis[2-(dimethylamino)ethoxy]-10H-phenanthren-9-one
CID 57439818
6-[2-(dimethylamino)ethoxy]-2-methyl-3H-isoindol-1-one
CID 70886803
ethane;2-(3-methoxy-4-methylphenoxy)-N,N-dimethylethanamine
CID 144693051
2-[[1-(2,6-dimethylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy]-N,N-dimethylethanamine
CID 3473177
3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride
CID 66649609

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethoxy]-4-methyl-1,3-dihydroisoindol-2-amine?
The IUPAC name of 6-[2-(dimethylamino)ethoxy]-4-methyl-1,3-dihydroisoindol-2-amine (CID 71104249) is 6-[2-(dimethylamino)ethoxy]-4-methyl-1,3-dihydroisoindol-2-amine.
What is the SMILES notation for 6-[2-(dimethylamino)ethoxy]-4-methyl-1,3-dihydroisoindol-2-amine?
The canonical SMILES for 6-[2-(dimethylamino)ethoxy]-4-methyl-1,3-dihydroisoindol-2-amine is Cc1cc(OCCN(C)C)cc2c1CN(N)C2.
What is the InChIKey of 6-[2-(dimethylamino)ethoxy]-4-methyl-1,3-dihydroisoindol-2-amine?
The InChIKey is XPPOPXJHIQSDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-6-12(17-5-4-15(2)3)7-11-8-16(14)9-13(10)11/h6-7H,4-5,8-9,14H2,1-3H3.
What are the key properties of 6-[2-(dimethylamino)ethoxy]-4-methyl-1,3-dihydroisoindol-2-amine?
6-[2-(dimethylamino)ethoxy]-4-methyl-1,3-dihydroisoindol-2-amine has a molecular weight of 235.33 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethoxy]-4-methyl-1,3-dihydroisoindol-2-amine is sourced from PubChem (CID 71104249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).