(2-ethyl-5-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine

C13H20N2 — CID 82126262

IUPAC(2-ethyl-5-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine
SMILESCCN1Cc2cccc(C)c2C(CN)C1
InChIInChI=1S/C13H20N2/c1-3-15-8-11-6-4-5-10(2)13(11)12(7-14)9-15/h4-6,12H,3,7-9,14H2,1-2H3
InChIKeyXOBAKRYJYVELPV-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.87
Rot. Bonds2

About (2-ethyl-5-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine

(2-ethyl-5-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine (PubChem CID 82126262) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (2-ethyl-5-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine.

Molecular Properties

Compound Name(2-ethyl-5-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine
PubChem CID82126262
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(2-ethyl-5-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine
SMILESCCN1Cc2cccc(C)c2C(CN)C1
InChIInChI=1S/C13H20N2/c1-3-15-8-11-6-4-5-10(2)13(11)12(7-14)9-15/h4-6,12H,3,7-9,14H2,1-2H3
InChIKeyXOBAKRYJYVELPV-UHFFFAOYSA-N
XLogP1.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-ethyl-5-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine?
The IUPAC name of (2-ethyl-5-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine (CID 82126262) is (2-ethyl-5-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine.
What is the SMILES notation for (2-ethyl-5-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine?
The canonical SMILES for (2-ethyl-5-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine is CCN1Cc2cccc(C)c2C(CN)C1.
What is the InChIKey of (2-ethyl-5-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine?
The InChIKey is XOBAKRYJYVELPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-3-15-8-11-6-4-5-10(2)13(11)12(7-14)9-15/h4-6,12H,3,7-9,14H2,1-2H3.
What are the key properties of (2-ethyl-5-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine?
(2-ethyl-5-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine has a molecular weight of 204.32 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine is sourced from PubChem (CID 82126262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).