8-chloro-1,2,3,4-tetrahydroquinolin-7-amine

C9H11ClN2 — CID 84658817

IUPAC8-chloro-1,2,3,4-tetrahydroquinolin-7-amine
SMILESNc1ccc2c(c1Cl)NCCC2
InChIInChI=1S/C9H11ClN2/c10-8-7(11)4-3-6-2-1-5-12-9(6)8/h3-4,12H,1-2,5,11H2
InChIKeyZFKVXJCABQKVAY-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.28
Rot. Bonds

About 8-chloro-1,2,3,4-tetrahydroquinolin-7-amine

8-chloro-1,2,3,4-tetrahydroquinolin-7-amine (PubChem CID 84658817) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 8-chloro-1,2,3,4-tetrahydroquinolin-7-amine.

Molecular Properties

Compound Name8-chloro-1,2,3,4-tetrahydroquinolin-7-amine
PubChem CID84658817
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name8-chloro-1,2,3,4-tetrahydroquinolin-7-amine
SMILESNc1ccc2c(c1Cl)NCCC2
InChIInChI=1S/C9H11ClN2/c10-8-7(11)4-3-6-2-1-5-12-9(6)8/h3-4,12H,1-2,5,11H2
InChIKeyZFKVXJCABQKVAY-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1,2,3,4-tetrahydroquinolin-7-amine?
The IUPAC name of 8-chloro-1,2,3,4-tetrahydroquinolin-7-amine (CID 84658817) is 8-chloro-1,2,3,4-tetrahydroquinolin-7-amine.
What is the SMILES notation for 8-chloro-1,2,3,4-tetrahydroquinolin-7-amine?
The canonical SMILES for 8-chloro-1,2,3,4-tetrahydroquinolin-7-amine is Nc1ccc2c(c1Cl)NCCC2.
What is the InChIKey of 8-chloro-1,2,3,4-tetrahydroquinolin-7-amine?
The InChIKey is ZFKVXJCABQKVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2/c10-8-7(11)4-3-6-2-1-5-12-9(6)8/h3-4,12H,1-2,5,11H2.
What are the key properties of 8-chloro-1,2,3,4-tetrahydroquinolin-7-amine?
8-chloro-1,2,3,4-tetrahydroquinolin-7-amine has a molecular weight of 182.65 g/mol, XLogP of 2.28, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1,2,3,4-tetrahydroquinolin-7-amine is sourced from PubChem (CID 84658817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).