4-chloro-2,3-dihydroquinolin-2-amine

C9H9ClN2 — CID 163678513

IUPAC4-chloro-2,3-dihydroquinolin-2-amine
SMILESNC1CC(Cl)=c2ccccc2=N1
InChIInChI=1S/C9H9ClN2/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-4,9H,5,11H2
InChIKeyJIUPUYPKBGWSOX-UHFFFAOYSA-N
MW180.64 g/mol
LogP0.34
Rot. Bonds

About 4-chloro-2,3-dihydroquinolin-2-amine

4-chloro-2,3-dihydroquinolin-2-amine (PubChem CID 163678513) has the molecular formula C9H9ClN2 and a molecular weight of 180.64 g/mol. Its IUPAC name is 4-chloro-2,3-dihydroquinolin-2-amine.

Molecular Properties

Compound Name4-chloro-2,3-dihydroquinolin-2-amine
PubChem CID163678513
Molecular FormulaC9H9ClN2
Molecular Weight180.64 g/mol
Exact Mass180.05
IUPAC Name4-chloro-2,3-dihydroquinolin-2-amine
SMILESNC1CC(Cl)=c2ccccc2=N1
InChIInChI=1S/C9H9ClN2/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-4,9H,5,11H2
InChIKeyJIUPUYPKBGWSOX-UHFFFAOYSA-N
XLogP0.34
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.64
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,3-dihydroquinolin-2-amine?
The IUPAC name of 4-chloro-2,3-dihydroquinolin-2-amine (CID 163678513) is 4-chloro-2,3-dihydroquinolin-2-amine.
What is the SMILES notation for 4-chloro-2,3-dihydroquinolin-2-amine?
The canonical SMILES for 4-chloro-2,3-dihydroquinolin-2-amine is NC1CC(Cl)=c2ccccc2=N1.
What is the InChIKey of 4-chloro-2,3-dihydroquinolin-2-amine?
The InChIKey is JIUPUYPKBGWSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-4,9H,5,11H2.
What are the key properties of 4-chloro-2,3-dihydroquinolin-2-amine?
4-chloro-2,3-dihydroquinolin-2-amine has a molecular weight of 180.64 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,3-dihydroquinolin-2-amine is sourced from PubChem (CID 163678513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).