2-[(3-bromo-4-pyridinyl)oxy]-N-methylcyclohexan-1-amine

C12H17BrN2O — CID 102634773

IUPAC2-[(3-bromo-4-pyridinyl)oxy]-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1Oc1ccncc1Br
InChIInChI=1S/C12H17BrN2O/c1-14-10-4-2-3-5-12(10)16-11-6-7-15-8-9(11)13/h6-8,10,12,14H,2-5H2,1H3
InChIKeyJKYXQZOFBSCXBA-UHFFFAOYSA-N
MW285.18 g/mol
LogP2.75
Rot. Bonds3

About 2-[(3-bromo-4-pyridinyl)oxy]-N-methylcyclohexan-1-amine

2-[(3-bromo-4-pyridinyl)oxy]-N-methylcyclohexan-1-amine (PubChem CID 102634773) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is 2-[(3-bromo-4-pyridinyl)oxy]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(3-bromo-4-pyridinyl)oxy]-N-methylcyclohexan-1-amine
PubChem CID102634773
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC Name2-[(3-bromo-4-pyridinyl)oxy]-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1Oc1ccncc1Br
InChIInChI=1S/C12H17BrN2O/c1-14-10-4-2-3-5-12(10)16-11-6-7-15-8-9(11)13/h6-8,10,12,14H,2-5H2,1H3
InChIKeyJKYXQZOFBSCXBA-UHFFFAOYSA-N
XLogP2.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(7-bromo-1,5-naphthyridin-4-yl)oxy]-N-methylcyclohexan-1-amine
CID 102634551
3-bromo-4-[2-(methylamino)cyclohexyl]oxybenzonitrile
CID 102634370
2-[(4-bromo-1,3-thiazol-2-yl)oxy]-N-methylcyclohexan-1-amine
CID 102634612
2-(2,3-dimethylphenoxy)-N-methylcyclooctan-1-amine
CID 63474157
N-methyl-2-phthalazin-1-yloxycyclohexan-1-amine
CID 102634790
trans-(1R,2R)-N-methyl-2-(4-methylphenoxy)cyclohexan-1-amine;hydrochloride
CID 24837203
2-(4-bromo-5-fluoro-2-nitrophenoxy)-N-methylcyclohexan-1-amine
CID 102634203
N-methyl-2-(2-nitrophenoxy)cyclohexan-1-amine
CID 102634561
2-(6-ethoxypyrazin-2-yl)oxy-N-methylcyclohexan-1-amine
CID 102634526
2-[(6-methoxy-2-pyridinyl)oxy]-N-methylcyclohexan-1-amine
CID 102634392
N-methyl-2-(2,3,5-trimethylphenoxy)cyclooctan-1-amine
CID 63474382
N-methyl-2-(1-methylimidazol-2-yl)oxycyclohexan-1-amine
CID 102634501

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-pyridinyl)oxy]-N-methylcyclohexan-1-amine?
The IUPAC name of 2-[(3-bromo-4-pyridinyl)oxy]-N-methylcyclohexan-1-amine (CID 102634773) is 2-[(3-bromo-4-pyridinyl)oxy]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[(3-bromo-4-pyridinyl)oxy]-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-[(3-bromo-4-pyridinyl)oxy]-N-methylcyclohexan-1-amine is CNC1CCCCC1Oc1ccncc1Br.
What is the InChIKey of 2-[(3-bromo-4-pyridinyl)oxy]-N-methylcyclohexan-1-amine?
The InChIKey is JKYXQZOFBSCXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-14-10-4-2-3-5-12(10)16-11-6-7-15-8-9(11)13/h6-8,10,12,14H,2-5H2,1H3.
What are the key properties of 2-[(3-bromo-4-pyridinyl)oxy]-N-methylcyclohexan-1-amine?
2-[(3-bromo-4-pyridinyl)oxy]-N-methylcyclohexan-1-amine has a molecular weight of 285.18 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-pyridinyl)oxy]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 102634773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).