(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanamine

C12H16N2O2 — CID 16637178

IUPAC(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanamine
SMILESCOc1cc2c(cc1OC)C(CN)=NCC2
InChIInChI=1S/C12H16N2O2/c1-15-11-5-8-3-4-14-10(7-13)9(8)6-12(11)16-2/h5-6H,3-4,7,13H2,1-2H3
InChIKeyYPVRKHBGTZZSFT-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.01
Rot. Bonds3

About (6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanamine

(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanamine (PubChem CID 16637178) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanamine.

Molecular Properties

Compound Name(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanamine
PubChem CID16637178
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanamine
SMILESCOc1cc2c(cc1OC)C(CN)=NCC2
InChIInChI=1S/C12H16N2O2/c1-15-11-5-8-3-4-14-10(7-13)9(8)6-12(11)16-2/h5-6H,3-4,7,13H2,1-2H3
InChIKeyYPVRKHBGTZZSFT-UHFFFAOYSA-N
XLogP1.01
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)ethanamine;hydrochloride
CID 54611410
1-(2-bromoethyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 91664959
1-ethyl-6,7-dimethoxy-3,4-dihydroisoquinoline;methanesulfonic acid
CID 71321713
1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 134120705
1-(chloromethyl)-7,8-dimethoxy-4,5-dihydro-3H-2-benzazepine
CID 12018662
N-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]-N-phenylaniline;hydrochloride
CID 70505599
[4-[(7-bromooxy-6-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]-2-methoxyphenyl] hypobromite
CID 53297789
2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene
CID 848565
benzyl N-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]carbamate
CID 11057351
N-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methylsulfonyl]phenyl]acetamide
CID 7600846
6,7-dimethoxy-1-(2-phenylethenyl)-3,4-dihydroisoquinoline
CID 54003250
6-methoxy-7-propan-2-yloxy-1-(thiophen-2-ylmethyl)-3,4-dihydroisoquinoline
CID 59626596

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanamine?
The IUPAC name of (6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanamine (CID 16637178) is (6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanamine.
What is the SMILES notation for (6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanamine?
The canonical SMILES for (6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanamine is COc1cc2c(cc1OC)C(CN)=NCC2.
What is the InChIKey of (6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanamine?
The InChIKey is YPVRKHBGTZZSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-15-11-5-8-3-4-14-10(7-13)9(8)6-12(11)16-2/h5-6H,3-4,7,13H2,1-2H3.
What are the key properties of (6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanamine?
(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanamine has a molecular weight of 220.27 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanamine is sourced from PubChem (CID 16637178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).