1,2,3,4-tetrahydroquinoline;hydrobromide

C9H12BrN — CID 19771761

IUPAC1,2,3,4-tetrahydroquinoline;hydrobromide
SMILESBr.c1ccc2c(c1)CCCN2
InChIInChI=1S/C9H11N.BrH/c1-2-6-9-8(4-1)5-3-7-10-9;/h1-2,4,6,10H,3,5,7H2;1H
InChIKeyOCRDFTBPPRPHGM-UHFFFAOYSA-N
MW214.11 g/mol
LogP2.62
Rot. Bonds

About 1,2,3,4-tetrahydroquinoline;hydrobromide

1,2,3,4-tetrahydroquinoline;hydrobromide (PubChem CID 19771761) has the molecular formula C9H12BrN and a molecular weight of 214.11 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroquinoline;hydrobromide.

Molecular Properties

Compound Name1,2,3,4-tetrahydroquinoline;hydrobromide
PubChem CID19771761
Molecular FormulaC9H12BrN
Molecular Weight214.11 g/mol
Exact Mass213.02
IUPAC Name1,2,3,4-tetrahydroquinoline;hydrobromide
SMILESBr.c1ccc2c(c1)CCCN2
InChIInChI=1S/C9H11N.BrH/c1-2-6-9-8(4-1)5-3-7-10-9;/h1-2,4,6,10H,3,5,7H2;1H
InChIKeyOCRDFTBPPRPHGM-UHFFFAOYSA-N
XLogP2.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,2,3,4-tetrahydroquinoline;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline
CID 166454859
2,3,4,5-tetrahydro-1H-1-benzazepine
CID 576503
2,3-dihydro-1H-indole;hydrobromide
CID 18680303
morpholine;1,2,3,4-tetrahydroquinoline
CID 67874658
propanedioic acid;1,2,3,4-tetrahydroquinoline
CID 66986458
1H-imidazole;1,2,3,4-tetrahydroquinoline
CID 174658972
2,9-diazatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaene
CID 102232178
benzamide;1,2,3,4-tetrahydroquinoline
CID 68819505
N-ethyl-N-propan-2-ylpropan-2-amine;1,2,3,4-tetrahydroquinoline
CID 174330190
2,3-dihydro-1H-benzimidazole;2,3-dihydro-1H-indole
CID 142166123
3,4-dihydro-2H-quinoline-1-carbaldehyde;1,2,3,4-tetrahydroquinoline
CID 157192076
1,2,3,4,5,6-hexahydro-1,6-benzodiazocine
CID 2771763

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroquinoline;hydrobromide?
The IUPAC name of 1,2,3,4-tetrahydroquinoline;hydrobromide (CID 19771761) is 1,2,3,4-tetrahydroquinoline;hydrobromide.
What is the SMILES notation for 1,2,3,4-tetrahydroquinoline;hydrobromide?
The canonical SMILES for 1,2,3,4-tetrahydroquinoline;hydrobromide is Br.c1ccc2c(c1)CCCN2.
What is the InChIKey of 1,2,3,4-tetrahydroquinoline;hydrobromide?
The InChIKey is OCRDFTBPPRPHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.BrH/c1-2-6-9-8(4-1)5-3-7-10-9;/h1-2,4,6,10H,3,5,7H2;1H.
What are the key properties of 1,2,3,4-tetrahydroquinoline;hydrobromide?
1,2,3,4-tetrahydroquinoline;hydrobromide has a molecular weight of 214.11 g/mol, XLogP of 2.62, 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-tetrahydroquinoline;hydrobromide is sourced from PubChem (CID 19771761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).