4-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-8-yl)-N,N-dimethylaniline

C18H22N2O — CID 82583473

IUPAC4-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-8-yl)-N,N-dimethylaniline
SMILESCOc1ccc2c(c1-c1ccc(N(C)C)cc1)CNCC2
InChIInChI=1S/C18H22N2O/c1-20(2)15-7-4-14(5-8-15)18-16-12-19-11-10-13(16)6-9-17(18)21-3/h4-9,19H,10-12H2,1-3H3
InChIKeyDYYRPUVCMFZJGV-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.07
Rot. Bonds3

About 4-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-8-yl)-N,N-dimethylaniline

4-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-8-yl)-N,N-dimethylaniline (PubChem CID 82583473) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-8-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-8-yl)-N,N-dimethylaniline
PubChem CID82583473
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-8-yl)-N,N-dimethylaniline
SMILESCOc1ccc2c(c1-c1ccc(N(C)C)cc1)CNCC2
InChIInChI=1S/C18H22N2O/c1-20(2)15-7-4-14(5-8-15)18-16-12-19-11-10-13(16)6-9-17(18)21-3/h4-9,19H,10-12H2,1-3H3
InChIKeyDYYRPUVCMFZJGV-UHFFFAOYSA-N
XLogP3.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 84657900
6-methoxy-8-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 153406501
(7-methoxy-1,2,3,4-tetrahydroisoquinolin-8-yl) acetate
CID 11775678
3-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)benzoic acid
CID 82583495
7-methoxy-N-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 82582930
N,N-dimethyl-4-(5-methyl-1,2,3,4-tetrahydroisoquinolin-8-yl)aniline
CID 82583439
6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 83875098
4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-N,N-dimethylaniline
CID 23539019
5-methoxy-8-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 82583404
5,8-dimethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 82495738
6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 83820244
ethane;5-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline
CID 145416816

Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-8-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-8-yl)-N,N-dimethylaniline (CID 82583473) is 4-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-8-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-8-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-8-yl)-N,N-dimethylaniline is COc1ccc2c(c1-c1ccc(N(C)C)cc1)CNCC2.
What is the InChIKey of 4-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-8-yl)-N,N-dimethylaniline?
The InChIKey is DYYRPUVCMFZJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-20(2)15-7-4-14(5-8-15)18-16-12-19-11-10-13(16)6-9-17(18)21-3/h4-9,19H,10-12H2,1-3H3.
What are the key properties of 4-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-8-yl)-N,N-dimethylaniline?
4-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-8-yl)-N,N-dimethylaniline has a molecular weight of 282.39 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-8-yl)-N,N-dimethylaniline is sourced from PubChem (CID 82583473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).