cis-(1R,2S)-2-[(6-bromo-3-pyridinyl)oxy]cyclohexan-1-amine

C11H15BrN2O — CID 86653041

IUPACcis-(1R,2S)-2-[(6-bromo-3-pyridinyl)oxy]cyclohexan-1-amine
SMILESN[C@@H]1CCCC[C@@H]1Oc1ccc(Br)nc1
InChIInChI=1S/C11H15BrN2O/c12-11-6-5-8(7-14-11)15-10-4-2-1-3-9(10)13/h5-7,9-10H,1-4,13H2/t9-,10+/m1/s1
InChIKeyOHOQNDRLCLEKBH-ZJUUUORDSA-N
MW271.16 g/mol
LogP2.49
Rot. Bonds2

About cis-(1R,2S)-2-[(6-bromo-3-pyridinyl)oxy]cyclohexan-1-amine

cis-(1R,2S)-2-[(6-bromo-3-pyridinyl)oxy]cyclohexan-1-amine (PubChem CID 86653041) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(6-bromo-3-pyridinyl)oxy]cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(6-bromo-3-pyridinyl)oxy]cyclohexan-1-amine
PubChem CID86653041
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Namecis-(1R,2S)-2-[(6-bromo-3-pyridinyl)oxy]cyclohexan-1-amine
SMILESN[C@@H]1CCCC[C@@H]1Oc1ccc(Br)nc1
InChIInChI=1S/C11H15BrN2O/c12-11-6-5-8(7-14-11)15-10-4-2-1-3-9(10)13/h5-7,9-10H,1-4,13H2/t9-,10+/m1/s1
InChIKeyOHOQNDRLCLEKBH-ZJUUUORDSA-N
XLogP2.49
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cis-(1R,2S)-2-[(6-bromo-3-pyridinyl)oxy]cyclohexan-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 cis-(1R,2S)-2-[(6-bromo-3-pyridinyl)oxy]cyclohexan-1-amine?
The IUPAC name of cis-(1R,2S)-2-[(6-bromo-3-pyridinyl)oxy]cyclohexan-1-amine (CID 86653041) is cis-(1R,2S)-2-[(6-bromo-3-pyridinyl)oxy]cyclohexan-1-amine.
What is the SMILES notation for cis-(1R,2S)-2-[(6-bromo-3-pyridinyl)oxy]cyclohexan-1-amine?
The canonical SMILES for cis-(1R,2S)-2-[(6-bromo-3-pyridinyl)oxy]cyclohexan-1-amine is N[C@@H]1CCCC[C@@H]1Oc1ccc(Br)nc1.
What is the InChIKey of cis-(1R,2S)-2-[(6-bromo-3-pyridinyl)oxy]cyclohexan-1-amine?
The InChIKey is OHOQNDRLCLEKBH-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H15BrN2O/c12-11-6-5-8(7-14-11)15-10-4-2-1-3-9(10)13/h5-7,9-10H,1-4,13H2/t9-,10+/m1/s1.
What are the key properties of cis-(1R,2S)-2-[(6-bromo-3-pyridinyl)oxy]cyclohexan-1-amine?
cis-(1R,2S)-2-[(6-bromo-3-pyridinyl)oxy]cyclohexan-1-amine has a molecular weight of 271.16 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(6-bromo-3-pyridinyl)oxy]cyclohexan-1-amine is sourced from PubChem (CID 86653041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).