6-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine

C12H18N2 — CID 134564878

IUPAC6-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCCc1cc2c(cc1N)CN(C)CC2
InChIInChI=1S/C12H18N2/c1-3-9-6-10-4-5-14(2)8-11(10)7-12(9)13/h6-7H,3-5,8,13H2,1-2H3
InChIKeyMJMSVSDQDJPQNU-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.82
Rot. Bonds1

About 6-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine

6-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine (PubChem CID 134564878) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 6-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine.

Molecular Properties

Compound Name6-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
PubChem CID134564878
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name6-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCCc1cc2c(cc1N)CN(C)CC2
InChIInChI=1S/C12H18N2/c1-3-9-6-10-4-5-14(2)8-11(10)7-12(9)13/h6-7H,3-5,8,13H2,1-2H3
InChIKeyMJMSVSDQDJPQNU-UHFFFAOYSA-N
XLogP1.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine 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

6,7-diethyl-2-methyl-3,4-dihydro-1H-isoquinoline
CID 155395760
6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 134564645
7-amino-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 84656604
3-methyl-8-pentyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine
CID 138580533
6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 59441854
2-methyl-6-(trideuteriomethoxy)-3,4-dihydro-1H-isoquinolin-7-amine
CID 168846425
2-methyl-6-(oxetan-3-yloxy)-3,4-dihydro-1H-isoquinolin-7-amine
CID 170029641
8-ethyl-2,6-dimethyl-3,4-dihydro-1H-isoquinoline
CID 170085418
iodomethane;2-methyl-3,4-dihydro-1H-isoquinoline-6,7-diol
CID 23621205
6-but-3-enyl-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
CID 123769197
7-tert-butyl-5-ethyl-2-methyl-3,4-dihydro-1H-isoquinoline
CID 171575407
2-ethyl-5-(4-methylpiperazin-1-yl)aniline
CID 39244247

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine?
The IUPAC name of 6-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine (CID 134564878) is 6-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine.
What is the SMILES notation for 6-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine?
The canonical SMILES for 6-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine is CCc1cc2c(cc1N)CN(C)CC2.
What is the InChIKey of 6-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine?
The InChIKey is MJMSVSDQDJPQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-3-9-6-10-4-5-14(2)8-11(10)7-12(9)13/h6-7H,3-5,8,13H2,1-2H3.
What are the key properties of 6-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine?
6-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine has a molecular weight of 190.29 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine is sourced from PubChem (CID 134564878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).