2-[(3,5-dichloro-2-pyridinyl)oxy]cycloheptan-1-amine

C12H16Cl2N2O — CID 113395361

IUPAC2-[(3,5-dichloro-2-pyridinyl)oxy]cycloheptan-1-amine
SMILESNC1CCCCCC1Oc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O/c13-8-6-9(14)12(16-7-8)17-11-5-3-1-2-4-10(11)15/h6-7,10-11H,1-5,15H2
InChIKeyGRJNKXZRZVGXCU-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.43
Rot. Bonds2

About 2-[(3,5-dichloro-2-pyridinyl)oxy]cycloheptan-1-amine

2-[(3,5-dichloro-2-pyridinyl)oxy]cycloheptan-1-amine (PubChem CID 113395361) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 2-[(3,5-dichloro-2-pyridinyl)oxy]cycloheptan-1-amine.

Molecular Properties

Compound Name2-[(3,5-dichloro-2-pyridinyl)oxy]cycloheptan-1-amine
PubChem CID113395361
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name2-[(3,5-dichloro-2-pyridinyl)oxy]cycloheptan-1-amine
SMILESNC1CCCCCC1Oc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O/c13-8-6-9(14)12(16-7-8)17-11-5-3-1-2-4-10(11)15/h6-7,10-11H,1-5,15H2
InChIKeyGRJNKXZRZVGXCU-UHFFFAOYSA-N
XLogP3.43
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3,5-dichloro-2-pyridinyl)oxy]cycloheptan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-2-pyridinyl)oxy]cycloheptan-1-amine?
The IUPAC name of 2-[(3,5-dichloro-2-pyridinyl)oxy]cycloheptan-1-amine (CID 113395361) is 2-[(3,5-dichloro-2-pyridinyl)oxy]cycloheptan-1-amine.
What is the SMILES notation for 2-[(3,5-dichloro-2-pyridinyl)oxy]cycloheptan-1-amine?
The canonical SMILES for 2-[(3,5-dichloro-2-pyridinyl)oxy]cycloheptan-1-amine is NC1CCCCCC1Oc1ncc(Cl)cc1Cl.
What is the InChIKey of 2-[(3,5-dichloro-2-pyridinyl)oxy]cycloheptan-1-amine?
The InChIKey is GRJNKXZRZVGXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c13-8-6-9(14)12(16-7-8)17-11-5-3-1-2-4-10(11)15/h6-7,10-11H,1-5,15H2.
What are the key properties of 2-[(3,5-dichloro-2-pyridinyl)oxy]cycloheptan-1-amine?
2-[(3,5-dichloro-2-pyridinyl)oxy]cycloheptan-1-amine has a molecular weight of 275.18 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-2-pyridinyl)oxy]cycloheptan-1-amine is sourced from PubChem (CID 113395361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).