6,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydroquinolin-3-amine

C13H20N2O2 — CID 10014349

IUPAC6,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydroquinolin-3-amine
SMILESCOc1cc2c(cc1OC)NCC(N(C)C)C2
InChIInChI=1S/C13H20N2O2/c1-15(2)10-5-9-6-12(16-3)13(17-4)7-11(9)14-8-10/h6-7,10,14H,5,8H2,1-4H3
InChIKeyIYADBDUPMGYGSL-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.60
Rot. Bonds3

About 6,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydroquinolin-3-amine

6,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydroquinolin-3-amine (PubChem CID 10014349) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 6,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydroquinolin-3-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydroquinolin-3-amine
PubChem CID10014349
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name6,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydroquinolin-3-amine
SMILESCOc1cc2c(cc1OC)NCC(N(C)C)C2
InChIInChI=1S/C13H20N2O2/c1-15(2)10-5-9-6-12(16-3)13(17-4)7-11(9)14-8-10/h6-7,10,14H,5,8H2,1-4H3
InChIKeyIYADBDUPMGYGSL-UHFFFAOYSA-N
XLogP1.60
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5,6-dimethoxy-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine
CID 12009520
tert-butyl N-[(3S)-6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
CID 71698262
(3R)-6,7-dimethoxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid;hydrochloride
CID 44665977
7,8-dimethoxy-3-propyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 83002643
2-(5,6-dimethoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine
CID 166138549
6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoxaline
CID 79014891
(3R)-7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroquinolin-3-ol
CID 102281148
3-ethenyl-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 102338901
2-(5,6-dimethoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine;ethene;molecular hydrogen
CID 169244307
6,7-dimethoxy-2-propan-2-yl-1,2,3,4-tetrahydroquinoxaline
CID 83008630
(1S,9S,11S)-4,5-dimethoxy-N,N,1-trimethyl-13-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine
CID 10017176
7,8-dimethoxy-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 79014767

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydroquinolin-3-amine?
The IUPAC name of 6,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydroquinolin-3-amine (CID 10014349) is 6,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydroquinolin-3-amine.
What is the SMILES notation for 6,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydroquinolin-3-amine?
The canonical SMILES for 6,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydroquinolin-3-amine is COc1cc2c(cc1OC)NCC(N(C)C)C2.
What is the InChIKey of 6,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydroquinolin-3-amine?
The InChIKey is IYADBDUPMGYGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-15(2)10-5-9-6-12(16-3)13(17-4)7-11(9)14-8-10/h6-7,10,14H,5,8H2,1-4H3.
What are the key properties of 6,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydroquinolin-3-amine?
6,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydroquinolin-3-amine has a molecular weight of 236.31 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydroquinolin-3-amine is sourced from PubChem (CID 10014349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).