1,2,3,4-tetrahydroisoquinoline

C9H11N — CID 7046

IUPAC1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CCNC2
InChIInChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2
InChIKeyUWYZHKAOTLEWKK-UHFFFAOYSA-N
MW133.19 g/mol
LogP1.33
Rot. Bonds

About 1,2,3,4-tetrahydroisoquinoline

1,2,3,4-tetrahydroisoquinoline (PubChem CID 7046) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1,2,3,4-tetrahydroisoquinoline
PubChem CID7046
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CCNC2
InChIInChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2
InChIKeyUWYZHKAOTLEWKK-UHFFFAOYSA-N
XLogP1.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Benzyl-1,2,3,4-Tetrahydroisoquinoline
CID 98468
Debrisoquine
CID 2966
N-Benzylphenethylamine
CID 65055
1-Benzylpiperazine
CID 75994
N-ethyl-1-phenylcyclohexanamine
CID 16622
Dibenzylamine
CID 7656
2-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 15362
N-Ethylbenzylamine
CID 84352
1,2,3,6-Tetrahydro-4-phenylpyridine
CID 82553
Isoindoline
CID 422478
1-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 92214
3-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 568974

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1,2,3,4-tetrahydroisoquinoline (CID 7046) is 1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1,2,3,4-tetrahydroisoquinoline is c1ccc2c(c1)CCNC2.
What is the InChIKey of 1,2,3,4-tetrahydroisoquinoline?
The InChIKey is UWYZHKAOTLEWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2.
What are the key properties of 1,2,3,4-tetrahydroisoquinoline?
1,2,3,4-tetrahydroisoquinoline has a molecular weight of 133.19 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 7046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).