4-[(3-bromo-4-methyl-2-pyridinyl)oxy]cyclohexan-1-amine

C12H17BrN2O — CID 106878594

IUPAC4-[(3-bromo-4-methyl-2-pyridinyl)oxy]cyclohexan-1-amine
SMILESCc1ccnc(OC2CCC(N)CC2)c1Br
InChIInChI=1S/C12H17BrN2O/c1-8-6-7-15-12(11(8)13)16-10-4-2-9(14)3-5-10/h6-7,9-10H,2-5,14H2,1H3
InChIKeyZDSVTGOUHTWVAS-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.80
Rot. Bonds2

About 4-[(3-bromo-4-methyl-2-pyridinyl)oxy]cyclohexan-1-amine

4-[(3-bromo-4-methyl-2-pyridinyl)oxy]cyclohexan-1-amine (PubChem CID 106878594) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 4-[(3-bromo-4-methyl-2-pyridinyl)oxy]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(3-bromo-4-methyl-2-pyridinyl)oxy]cyclohexan-1-amine
PubChem CID106878594
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name4-[(3-bromo-4-methyl-2-pyridinyl)oxy]cyclohexan-1-amine
SMILESCc1ccnc(OC2CCC(N)CC2)c1Br
InChIInChI=1S/C12H17BrN2O/c1-8-6-7-15-12(11(8)13)16-10-4-2-9(14)3-5-10/h6-7,9-10H,2-5,14H2,1H3
InChIKeyZDSVTGOUHTWVAS-UHFFFAOYSA-N
XLogP2.80
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-aminocyclohexyl)oxypropyl]-3-bromo-4-methylpyridin-2-amine
CID 106876136
4-[[3-(aminomethyl)-2-pyridinyl]oxy]cyclohexan-1-amine
CID 117096825
2-(4-aminocyclohexyl)oxypyridine-3-carbonitrile
CID 62807946
3-bromo-2-(4-methylcyclohexyl)oxypyridine
CID 61373555
[4-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexyl]methanol
CID 106825796
3-bromo-N-cyclopropyl-4-methylpyridin-2-amine
CID 97181175
ethyl 2-[(3-bromo-4-methyl-2-pyridinyl)oxy]acetate
CID 164553275
4-[(3-bromo-2-pyridinyl)oxy]-N,N-dimethylcyclohexan-1-amine
CID 126955057
4-(4-bromophenoxy)cyclohexan-1-amine
CID 16756742
3-bromo-4-methyl-2-(2-methylphenoxy)pyridine
CID 106877761
2-(4,4-dimethylcyclohexyl)oxy-4-methylpyridine-3-carbothioamide
CID 114341090
2-(4-aminocyclohexyl)oxy-N-methylpyrimidin-4-amine;dihydrochloride
CID 135203298

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-4-methyl-2-pyridinyl)oxy]cyclohexan-1-amine?
The IUPAC name of 4-[(3-bromo-4-methyl-2-pyridinyl)oxy]cyclohexan-1-amine (CID 106878594) is 4-[(3-bromo-4-methyl-2-pyridinyl)oxy]cyclohexan-1-amine.
What is the SMILES notation for 4-[(3-bromo-4-methyl-2-pyridinyl)oxy]cyclohexan-1-amine?
The canonical SMILES for 4-[(3-bromo-4-methyl-2-pyridinyl)oxy]cyclohexan-1-amine is Cc1ccnc(OC2CCC(N)CC2)c1Br.
What is the InChIKey of 4-[(3-bromo-4-methyl-2-pyridinyl)oxy]cyclohexan-1-amine?
The InChIKey is ZDSVTGOUHTWVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-8-6-7-15-12(11(8)13)16-10-4-2-9(14)3-5-10/h6-7,9-10H,2-5,14H2,1H3.
What are the key properties of 4-[(3-bromo-4-methyl-2-pyridinyl)oxy]cyclohexan-1-amine?
4-[(3-bromo-4-methyl-2-pyridinyl)oxy]cyclohexan-1-amine has a molecular weight of 285.19 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-4-methyl-2-pyridinyl)oxy]cyclohexan-1-amine is sourced from PubChem (CID 106878594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).