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

C12H18N2O — CID 134564645

IUPAC6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCCOc1cc2c(cc1N)CN(C)CC2
InChIInChI=1S/C12H18N2O/c1-3-15-12-7-9-4-5-14(2)8-10(9)6-11(12)13/h6-7H,3-5,8,13H2,1-2H3
InChIKeyJXIMBNKOELPEBZ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.66
Rot. Bonds2

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

6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine (PubChem CID 134564645) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine.

Molecular Properties

Compound Name6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
PubChem CID134564645
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCCOc1cc2c(cc1N)CN(C)CC2
InChIInChI=1S/C12H18N2O/c1-3-15-12-7-9-4-5-14(2)8-10(9)6-11(12)13/h6-7H,3-5,8,13H2,1-2H3
InChIKeyJXIMBNKOELPEBZ-UHFFFAOYSA-N
XLogP1.66
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine?
The IUPAC name of 6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine (CID 134564645) is 6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine.
What is the SMILES notation for 6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine?
The canonical SMILES for 6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine is CCOc1cc2c(cc1N)CN(C)CC2.
What is the InChIKey of 6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine?
The InChIKey is JXIMBNKOELPEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-15-12-7-9-4-5-14(2)8-10(9)6-11(12)13/h6-7H,3-5,8,13H2,1-2H3.
What are the key properties of 6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine?
6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine has a molecular weight of 206.29 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine is sourced from PubChem (CID 134564645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).