8-chloro-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride

C19H23Cl2NO2 — CID 11164521

IUPAC8-chloro-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESCOc1ccc(CC2c3c(Cl)cccc3CCN2C)cc1OC.Cl
InChIInChI=1S/C19H22ClNO2.ClH/c1-21-10-9-14-5-4-6-15(20)19(14)16(21)11-13-7-8-17(22-2)18(12-13)23-3;/h4-8,12,16H,9-11H2,1-3H3;1H
InChIKeyNIJFVIDEGPEVST-UHFFFAOYSA-N
MW368.30 g/mol
LogP4.55
Rot. Bonds4

About 8-chloro-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride

8-chloro-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride (PubChem CID 11164521) has the molecular formula C19H23Cl2NO2 and a molecular weight of 368.30 g/mol. Its IUPAC name is 8-chloro-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride.

Molecular Properties

Compound Name8-chloro-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
PubChem CID11164521
Molecular FormulaC19H23Cl2NO2
Molecular Weight368.30 g/mol
Exact Mass367.11
IUPAC Name8-chloro-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESCOc1ccc(CC2c3c(Cl)cccc3CCN2C)cc1OC.Cl
InChIInChI=1S/C19H22ClNO2.ClH/c1-21-10-9-14-5-4-6-15(20)19(14)16(21)11-13-7-8-17(22-2)18(12-13)23-3;/h4-8,12,16H,9-11H2,1-3H3;1H
InChIKeyNIJFVIDEGPEVST-UHFFFAOYSA-N
XLogP4.55
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-chloro-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride with MolForge

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 11995266
(8-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
CID 82394731
(1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-(trideuteriomethyl)-3,4-dihydro-1H-isoquinoline
CID 171394806
4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-hydroxyphenyl]phenol
CID 102154059
(1S)-1-[[4-[3-[4-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-4-methoxyphenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 132821036
(1S)-1-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 56683488
(1R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline
CID 163017135
(1S)-6,7-dimethoxy-1-[[4-methoxy-3-[4-[[(1S)-6-methoxy-2,7-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-2,8-dimethyl-3,4-dihydro-1H-isoquinoline
CID 90348372
N-(2-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 20787846
4-[(7-methoxy-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol
CID 11666529
7-[5-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2,3-dimethoxyphenoxy]-1-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 162917939
1-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 3100778

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride?
The IUPAC name of 8-chloro-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride (CID 11164521) is 8-chloro-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride.
What is the SMILES notation for 8-chloro-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride?
The canonical SMILES for 8-chloro-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride is COc1ccc(CC2c3c(Cl)cccc3CCN2C)cc1OC.Cl.
What is the InChIKey of 8-chloro-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride?
The InChIKey is NIJFVIDEGPEVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2.ClH/c1-21-10-9-14-5-4-6-15(20)19(14)16(21)11-13-7-8-17(22-2)18(12-13)23-3;/h4-8,12,16H,9-11H2,1-3H3;1H.
What are the key properties of 8-chloro-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride?
8-chloro-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride has a molecular weight of 368.30 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride is sourced from PubChem (CID 11164521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).