7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline

C10H12ClN — CID 10726095

IUPAC7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2ccc(Cl)cc2C1
InChIInChI=1S/C10H12ClN/c1-12-5-4-8-2-3-10(11)6-9(8)7-12/h2-3,6H,4-5,7H2,1H3
InChIKeyYKRZBMZGMMTAGK-UHFFFAOYSA-N
MW181.67 g/mol
LogP2.33
Rot. Bonds

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

7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 10726095) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is 7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID10726095
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2ccc(Cl)cc2C1
InChIInChI=1S/C10H12ClN/c1-12-5-4-8-2-3-10(11)6-9(8)7-12/h2-3,6H,4-5,7H2,1H3
InChIKeyYKRZBMZGMMTAGK-UHFFFAOYSA-N
XLogP2.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline
CID 123920
2-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 15362
8-Chloro-1,2,3,4-tetrahydroisoquinoline
CID 12595071
2-Methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
CID 45259959
7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline hydrochloride
CID 123919
4-(4-chlorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
CID 9795462
4-(3-chlorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
CID 9838350
4-(4-chloro-3-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 9882047
4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 10355130
7-Chloro-1,2,3,4-tetrahydroisoquinoline
CID 12595069
1-(4-Chlorobenzyl)-4-phenylpiperidine
CID 3780175
6-Chloro-1,2,3,4-tetrahydroisoquinoline
CID 11789594

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline (CID 10726095) is 7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline is CN1CCc2ccc(Cl)cc2C1.
What is the InChIKey of 7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is YKRZBMZGMMTAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN/c1-12-5-4-8-2-3-10(11)6-9(8)7-12/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline?
7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 181.67 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 10726095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).