7-chloro-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline

C11H14ClN — CID 83970609

IUPAC7-chloro-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1Cc2ccc(Cl)cc2C(C)N1
InChIInChI=1S/C11H14ClN/c1-7-5-9-3-4-10(12)6-11(9)8(2)13-7/h3-4,6-8,13H,5H2,1-2H3
InChIKeyBAGMYQFALXCHER-UHFFFAOYSA-N
MW195.69 g/mol
LogP2.94
Rot. Bonds

About 7-chloro-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline

7-chloro-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 83970609) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 7-chloro-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-chloro-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID83970609
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name7-chloro-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1Cc2ccc(Cl)cc2C(C)N1
InChIInChI=1S/C11H14ClN/c1-7-5-9-3-4-10(12)6-11(9)8(2)13-7/h3-4,6-8,13H,5H2,1-2H3
InChIKeyBAGMYQFALXCHER-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-chloro-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline (CID 83970609) is 7-chloro-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-chloro-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-chloro-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline is CC1Cc2ccc(Cl)cc2C(C)N1.
What is the InChIKey of 7-chloro-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is BAGMYQFALXCHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-7-5-9-3-4-10(12)6-11(9)8(2)13-7/h3-4,6-8,13H,5H2,1-2H3.
What are the key properties of 7-chloro-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline?
7-chloro-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 195.69 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 83970609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).