(1R)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

C18H21NO2 — CID 7157325

IUPAC(1R)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1OC)[C@@H](Cc1ccccc1)NCC2
InChIInChI=1S/C18H21NO2/c1-20-17-11-14-8-9-19-16(15(14)12-18(17)21-2)10-13-6-4-3-5-7-13/h3-7,11-12,16,19H,8-10H2,1-2H3/t16-/m1/s1
InChIKeyHWNSTGWDEVWFNH-MRXNPFEDSA-N
MW283.37 g/mol
LogP3.13
Rot. Bonds4

About (1R)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

(1R)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 7157325) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (1R)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(1R)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID7157325
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(1R)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1OC)[C@@H](Cc1ccccc1)NCC2
InChIInChI=1S/C18H21NO2/c1-20-17-11-14-8-9-19-16(15(14)12-18(17)21-2)10-13-6-4-3-5-7-13/h3-7,11-12,16,19H,8-10H2,1-2H3/t16-/m1/s1
InChIKeyHWNSTGWDEVWFNH-MRXNPFEDSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 10969027
(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 688594
6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 22643314
6,7-dimethoxy-1-[(4-phenylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline;oxalic acid
CID 69307329
6,7-dimethoxy-1-(phenylmethoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 19610313
7-ethoxy-6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 166067832
5-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-methoxyphenol;hydrochloride
CID 2752280
4-[[(1S)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol
CID 95988928
N-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-N-phenylaniline
CID 54179003
1-[(2,5-dimethoxyphenyl)methyl]-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 90073381
(1S)-1-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 12665035
(1R)-1-[[2-[2-[2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-4,5-dimethoxyphenyl]ethyl]-4,5-dimethoxyphenyl]methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 102030471

Frequently Asked Questions

What is the IUPAC name of (1R)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (1R)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline (CID 7157325) is (1R)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (1R)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (1R)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline is COc1cc2c(cc1OC)[C@@H](Cc1ccccc1)NCC2.
What is the InChIKey of (1R)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is HWNSTGWDEVWFNH-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21NO2/c1-20-17-11-14-8-9-19-16(15(14)12-18(17)21-2)10-13-6-4-3-5-7-13/h3-7,11-12,16,19H,8-10H2,1-2H3/t16-/m1/s1.
What are the key properties of (1R)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
(1R)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 283.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 7157325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).