2,4-diethyl-3,4-dihydro-1H-isoquinoline

C13H19N — CID 56971515

IUPAC2,4-diethyl-3,4-dihydro-1H-isoquinoline
SMILESCCC1CN(CC)Cc2ccccc21
InChIInChI=1S/C13H19N/c1-3-11-9-14(4-2)10-12-7-5-6-8-13(11)12/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyJIMSHMLCDQJGLO-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.02
Rot. Bonds2

About 2,4-diethyl-3,4-dihydro-1H-isoquinoline

2,4-diethyl-3,4-dihydro-1H-isoquinoline (PubChem CID 56971515) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2,4-diethyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2,4-diethyl-3,4-dihydro-1H-isoquinoline
PubChem CID56971515
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2,4-diethyl-3,4-dihydro-1H-isoquinoline
SMILESCCC1CN(CC)Cc2ccccc21
InChIInChI=1S/C13H19N/c1-3-11-9-14(4-2)10-12-7-5-6-8-13(11)12/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyJIMSHMLCDQJGLO-UHFFFAOYSA-N
XLogP3.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Phencyclidine
CID 6468
1,2,3,4-Tetrahydroisoquinoline
CID 7046
Phencyclidine Hydrochloride
CID 9795678
1-Benzyl-1,2,3,4-Tetrahydroisoquinoline
CID 98468
Azapetine
CID 8966
2-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 15362
3-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 568974
1-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 92214
1-Benzyl-4-methyl-piperazine
CID 763557
1-Methyl-4-(2'-methylphenyl)-1,2,3,6-tetrahydropyridine
CID 91767
(3R)-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 7462300
1,2,3,4-Tetrahydroisoquinoline-2-sulfonamide
CID 14787907

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2,4-diethyl-3,4-dihydro-1H-isoquinoline (CID 56971515) is 2,4-diethyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2,4-diethyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2,4-diethyl-3,4-dihydro-1H-isoquinoline is CCC1CN(CC)Cc2ccccc21.
What is the InChIKey of 2,4-diethyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is JIMSHMLCDQJGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-3-11-9-14(4-2)10-12-7-5-6-8-13(11)12/h5-8,11H,3-4,9-10H2,1-2H3.
What are the key properties of 2,4-diethyl-3,4-dihydro-1H-isoquinoline?
2,4-diethyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 189.30 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 56971515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).