2-Ethyl-1,2,3,4-tetrahydroisoquinoline

C11H15N — CID 49719

IUPAC2-ethyl-3,4-dihydro-1H-isoquinoline
SMILESCCN1CCC2=CC=CC=C2C1
InChIInChI=1S/C11H15N/c1-2-12-8-7-10-5-3-4-6-11(10)9-12/h3-6H,2,7-9H2,1H3
InChIKeyVFCWGXGWQPTGNQ-UHFFFAOYSA-N
MW161.24 g/mol
LogP2.20
Rot. Bonds1

About 2-Ethyl-1,2,3,4-tetrahydroisoquinoline

2-Ethyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 49719) has the molecular formula C11H15N and a molecular weight of 161.24 g/mol. Its IUPAC name is 2-ethyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-Ethyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID49719
Molecular FormulaC11H15N
Molecular Weight161.24 g/mol
Exact Mass161.12
IUPAC Name2-ethyl-3,4-dihydro-1H-isoquinoline
SMILESCCN1CCC2=CC=CC=C2C1
InChIInChI=1S/C11H15N/c1-2-12-8-7-10-5-3-4-6-11(10)9-12/h3-6H,2,7-9H2,1H3
InChIKeyVFCWGXGWQPTGNQ-UHFFFAOYSA-N
XLogP2.20
TPSA3.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity144

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Phencyclidine
CID 6468
1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine
CID 1388
1,2,3,4-Tetrahydroisoquinoline
CID 7046
Debrisoquine
CID 2966
N,N-Dimethylbenzylamine
CID 7681
Benzyl triethylammonium chloride
CID 66133
Piperidine, 1-(2-phenylethyl)-
CID 9513
2-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 15362
N-benzyl-N-methyl-1-phenylmethanamine
CID 21583
1-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 92214
3-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 568974
1-Benzyl-2,5-dihydropyrrole
CID 561506

Frequently Asked Questions

What is the IUPAC name of 2-Ethyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 2-Ethyl-1,2,3,4-tetrahydroisoquinoline (CID 49719) is 2-ethyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-Ethyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 2-Ethyl-1,2,3,4-tetrahydroisoquinoline is CCN1CCC2=CC=CC=C2C1.
What is the InChIKey of 2-Ethyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is VFCWGXGWQPTGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-2-12-8-7-10-5-3-4-6-11(10)9-12/h3-6H,2,7-9H2,1H3.
What are the key properties of 2-Ethyl-1,2,3,4-tetrahydroisoquinoline?
2-Ethyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 161.24 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Ethyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 49719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).