6-chloro-1,2,3,4-tetrahydroquinolin-4-amine

C9H11ClN2 — CID 54594249

IUPAC6-chloro-1,2,3,4-tetrahydroquinolin-4-amine
SMILESNC1CCNc2ccc(Cl)cc21
InChIInChI=1S/C9H11ClN2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8,12H,3-4,11H2
InChIKeyOXOPPJOJMLUEHH-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.16
Rot. Bonds

About 6-chloro-1,2,3,4-tetrahydroquinolin-4-amine

6-chloro-1,2,3,4-tetrahydroquinolin-4-amine (PubChem CID 54594249) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 6-chloro-1,2,3,4-tetrahydroquinolin-4-amine.

Molecular Properties

Compound Name6-chloro-1,2,3,4-tetrahydroquinolin-4-amine
PubChem CID54594249
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name6-chloro-1,2,3,4-tetrahydroquinolin-4-amine
SMILESNC1CCNc2ccc(Cl)cc21
InChIInChI=1S/C9H11ClN2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8,12H,3-4,11H2
InChIKeyOXOPPJOJMLUEHH-UHFFFAOYSA-N
XLogP2.16
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,2,3,4-tetrahydroquinolin-4-amine?
The IUPAC name of 6-chloro-1,2,3,4-tetrahydroquinolin-4-amine (CID 54594249) is 6-chloro-1,2,3,4-tetrahydroquinolin-4-amine.
What is the SMILES notation for 6-chloro-1,2,3,4-tetrahydroquinolin-4-amine?
The canonical SMILES for 6-chloro-1,2,3,4-tetrahydroquinolin-4-amine is NC1CCNc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1,2,3,4-tetrahydroquinolin-4-amine?
The InChIKey is OXOPPJOJMLUEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8,12H,3-4,11H2.
What are the key properties of 6-chloro-1,2,3,4-tetrahydroquinolin-4-amine?
6-chloro-1,2,3,4-tetrahydroquinolin-4-amine has a molecular weight of 182.65 g/mol, XLogP of 2.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,2,3,4-tetrahydroquinolin-4-amine is sourced from PubChem (CID 54594249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).