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'}

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Related Compounds

cis-(1S,2R)-2-(4-bromophenoxy)cyclopentan-1-amine
CID 67193636
2-[(5-methoxy-2-pyridinyl)oxy]cyclohexan-1-amine
CID 106504894
2-(4-phenylphenoxy)cycloheptan-1-amine
CID 43591607
2-(4-propan-2-ylphenoxy)cycloheptan-1-amine
CID 43104678
2-bromo-5-(1-methylpiperidin-4-yl)oxypyridine
CID 129202847
2-(4-pyridin-2-ylphenoxy)cyclopentan-1-amine
CID 117051665
2-[[6-(aminomethyl)-3-pyridinyl]oxy]cyclohexan-1-ol
CID 79775403
2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-amine
CID 83488188
2-(4-benzylphenoxy)cyclopentan-1-amine
CID 62274386
2-(3,5-dimethoxyphenoxy)cycloheptan-1-amine
CID 43589856
2-bromo-5-(oxan-4-yloxy)pyridine;6-bromopyridin-3-ol
CID 170549224
2-[(3,5-dichloro-2-pyridinyl)oxy]cycloheptan-1-amine
CID 113395361

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).