7,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinoline

C10H11Cl2N — CID 21393851

IUPAC7,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2ccc(Cl)c(Cl)c2C1
InChIInChI=1S/C10H11Cl2N/c1-13-5-4-7-2-3-9(11)10(12)8(7)6-13/h2-3H,4-6H2,1H3
InChIKeyCKQGPXVHWWVFPA-UHFFFAOYSA-N
MW216.11 g/mol
LogP2.98
Rot. Bonds

About 7,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinoline

7,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 21393851) has the molecular formula C10H11Cl2N and a molecular weight of 216.11 g/mol. Its IUPAC name is 7,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name7,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID21393851
Molecular FormulaC10H11Cl2N
Molecular Weight216.11 g/mol
Exact Mass215.03
IUPAC Name7,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2ccc(Cl)c(Cl)c2C1
InChIInChI=1S/C10H11Cl2N/c1-13-5-4-7-2-3-9(11)10(12)8(7)6-13/h2-3H,4-6H2,1H3
InChIKeyCKQGPXVHWWVFPA-UHFFFAOYSA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.11
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline
CID 123920
8-Chloro-1,2,3,4-tetrahydroisoquinoline
CID 12595071
8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 121938
Lauryldimethyl-3,4-dichlorobenzylammonium chloride
CID 7605
7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline hydrochloride
CID 123919
4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 10355130
7-Chloro-1,2,3,4-tetrahydroisoquinoline
CID 12595069
2,2'-Hexylene-bis(7,8-dichloro-1,2,3,4-tetrahydroisoquinoline)dihydrochloride
CID 20299671
2,2'-Butylene-bis(7,8-dichloro-1,2,3,4-tetrahydroisoquinoline)dihydrochloride
CID 20299685
7,8-dichloro-2-[2-(7,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 45262913
3-(3,4-dichlorophenyl)-N,N-dimethyl-3-piperidin-1-ylpropan-1-amine
CID 54767242
6-Chloro-1,2,3,4-tetrahydroisoquinoline
CID 11789594

Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 7,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinoline (CID 21393851) is 7,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 7,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 7,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinoline is CN1CCc2ccc(Cl)c(Cl)c2C1.
What is the InChIKey of 7,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is CKQGPXVHWWVFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N/c1-13-5-4-7-2-3-9(11)10(12)8(7)6-13/h2-3H,4-6H2,1H3.
What are the key properties of 7,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinoline?
7,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 216.11 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 21393851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).