7-chloro-2,8-dimethyl-3,4-dihydro-1H-isoquinoline

C11H14ClN — CID 84666615

IUPAC7-chloro-2,8-dimethyl-3,4-dihydro-1H-isoquinoline
SMILESCc1c(Cl)ccc2c1CN(C)CC2
InChIInChI=1S/C11H14ClN/c1-8-10-7-13(2)6-5-9(10)3-4-11(8)12/h3-4H,5-7H2,1-2H3
InChIKeyOTXRMVMHKZJICO-UHFFFAOYSA-N
MW195.69 g/mol
LogP2.64
Rot. Bonds

About 7-chloro-2,8-dimethyl-3,4-dihydro-1H-isoquinoline

7-chloro-2,8-dimethyl-3,4-dihydro-1H-isoquinoline (PubChem CID 84666615) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 7-chloro-2,8-dimethyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name7-chloro-2,8-dimethyl-3,4-dihydro-1H-isoquinoline
PubChem CID84666615
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name7-chloro-2,8-dimethyl-3,4-dihydro-1H-isoquinoline
SMILESCc1c(Cl)ccc2c1CN(C)CC2
InChIInChI=1S/C11H14ClN/c1-8-10-7-13(2)6-5-9(10)3-4-11(8)12/h3-4H,5-7H2,1-2H3
InChIKeyOTXRMVMHKZJICO-UHFFFAOYSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,8-dimethyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 7-chloro-2,8-dimethyl-3,4-dihydro-1H-isoquinoline (CID 84666615) is 7-chloro-2,8-dimethyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 7-chloro-2,8-dimethyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 7-chloro-2,8-dimethyl-3,4-dihydro-1H-isoquinoline is Cc1c(Cl)ccc2c1CN(C)CC2.
What is the InChIKey of 7-chloro-2,8-dimethyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is OTXRMVMHKZJICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-8-10-7-13(2)6-5-9(10)3-4-11(8)12/h3-4H,5-7H2,1-2H3.
What are the key properties of 7-chloro-2,8-dimethyl-3,4-dihydro-1H-isoquinoline?
7-chloro-2,8-dimethyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 195.69 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,8-dimethyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 84666615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).