2-chloro-5,6,7,8-tetrahydroquinolin-8-amine

C9H11ClN2 — CID 58484137

IUPAC2-chloro-5,6,7,8-tetrahydroquinolin-8-amine
SMILESNC1CCCc2ccc(Cl)nc21
InChIInChI=1S/C9H11ClN2/c10-8-5-4-6-2-1-3-7(11)9(6)12-8/h4-5,7H,1-3,11H2
InChIKeyIEVYMQKRNGSTKJ-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.07
Rot. Bonds

About 2-chloro-5,6,7,8-tetrahydroquinolin-8-amine

2-chloro-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 58484137) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 2-chloro-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound Name2-chloro-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID58484137
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name2-chloro-5,6,7,8-tetrahydroquinolin-8-amine
SMILESNC1CCCc2ccc(Cl)nc21
InChIInChI=1S/C9H11ClN2/c10-8-5-4-6-2-1-3-7(11)9(6)12-8/h4-5,7H,1-3,11H2
InChIKeyIEVYMQKRNGSTKJ-UHFFFAOYSA-N
XLogP2.07
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of 2-chloro-5,6,7,8-tetrahydroquinolin-8-amine (CID 58484137) is 2-chloro-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for 2-chloro-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for 2-chloro-5,6,7,8-tetrahydroquinolin-8-amine is NC1CCCc2ccc(Cl)nc21.
What is the InChIKey of 2-chloro-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is IEVYMQKRNGSTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2/c10-8-5-4-6-2-1-3-7(11)9(6)12-8/h4-5,7H,1-3,11H2.
What are the key properties of 2-chloro-5,6,7,8-tetrahydroquinolin-8-amine?
2-chloro-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 182.65 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 58484137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).