8-ethyl-2,6-dimethyl-3,4-dihydro-1H-isoquinoline

C13H19N — CID 170085418

IUPAC8-ethyl-2,6-dimethyl-3,4-dihydro-1H-isoquinoline
SMILESCCc1cc(C)cc2c1CN(C)CC2
InChIInChI=1S/C13H19N/c1-4-11-7-10(2)8-12-5-6-14(3)9-13(11)12/h7-8H,4-6,9H2,1-3H3
InChIKeyQUEJBESEEISRNB-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.55
Rot. Bonds1

About 8-ethyl-2,6-dimethyl-3,4-dihydro-1H-isoquinoline

8-ethyl-2,6-dimethyl-3,4-dihydro-1H-isoquinoline (PubChem CID 170085418) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 8-ethyl-2,6-dimethyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name8-ethyl-2,6-dimethyl-3,4-dihydro-1H-isoquinoline
PubChem CID170085418
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name8-ethyl-2,6-dimethyl-3,4-dihydro-1H-isoquinoline
SMILESCCc1cc(C)cc2c1CN(C)CC2
InChIInChI=1S/C13H19N/c1-4-11-7-10(2)8-12-5-6-14(3)9-13(11)12/h7-8H,4-6,9H2,1-3H3
InChIKeyQUEJBESEEISRNB-UHFFFAOYSA-N
XLogP2.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2,6-dimethyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 8-ethyl-2,6-dimethyl-3,4-dihydro-1H-isoquinoline (CID 170085418) is 8-ethyl-2,6-dimethyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 8-ethyl-2,6-dimethyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 8-ethyl-2,6-dimethyl-3,4-dihydro-1H-isoquinoline is CCc1cc(C)cc2c1CN(C)CC2.
What is the InChIKey of 8-ethyl-2,6-dimethyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is QUEJBESEEISRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-4-11-7-10(2)8-12-5-6-14(3)9-13(11)12/h7-8H,4-6,9H2,1-3H3.
What are the key properties of 8-ethyl-2,6-dimethyl-3,4-dihydro-1H-isoquinoline?
8-ethyl-2,6-dimethyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 189.30 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2,6-dimethyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 170085418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).