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

C13H19BrN2O — CID 126955057

IUPAC4-[(3-bromo-2-pyridinyl)oxy]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1CCC(Oc2ncccc2Br)CC1
InChIInChI=1S/C13H19BrN2O/c1-16(2)10-5-7-11(8-6-10)17-13-12(14)4-3-9-15-13/h3-4,9-11H,5-8H2,1-2H3
InChIKeyGQRARTMWVZPZTF-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.10
Rot. Bonds3

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

4-[(3-bromo-2-pyridinyl)oxy]-N,N-dimethylcyclohexan-1-amine (PubChem CID 126955057) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 4-[(3-bromo-2-pyridinyl)oxy]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[(3-bromo-2-pyridinyl)oxy]-N,N-dimethylcyclohexan-1-amine
PubChem CID126955057
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name4-[(3-bromo-2-pyridinyl)oxy]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1CCC(Oc2ncccc2Br)CC1
InChIInChI=1S/C13H19BrN2O/c1-16(2)10-5-7-11(8-6-10)17-13-12(14)4-3-9-15-13/h3-4,9-11H,5-8H2,1-2H3
InChIKeyGQRARTMWVZPZTF-UHFFFAOYSA-N
XLogP3.10
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-(4-methylcyclohexyl)oxypyridine
CID 61373555
3-bromo-2-(3-methylcyclobutyl)oxypyridine
CID 122580795
3-bromo-2-(thiolan-3-yloxy)pyridine
CID 126955056
2-(azetidin-3-yloxy)-3-bromopyridine
CID 58547749
3-bromo-2-[(3R)-pyrrolidin-3-yl]oxypyridine
CID 94406855
[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-cyclopropylmethanone
CID 122249860
[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone
CID 71799453
1-[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]but-2-en-1-one
CID 91939329
1-(3-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine
CID 63174837
tert-butyl (3R)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 97102850
2-[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]quinoline
CID 58547880
[3-[(3-bromo-2-pyridinyl)oxy]cyclobutyl]carbamic acid
CID 67478740

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-2-pyridinyl)oxy]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 4-[(3-bromo-2-pyridinyl)oxy]-N,N-dimethylcyclohexan-1-amine (CID 126955057) is 4-[(3-bromo-2-pyridinyl)oxy]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 4-[(3-bromo-2-pyridinyl)oxy]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 4-[(3-bromo-2-pyridinyl)oxy]-N,N-dimethylcyclohexan-1-amine is CN(C)C1CCC(Oc2ncccc2Br)CC1.
What is the InChIKey of 4-[(3-bromo-2-pyridinyl)oxy]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is GQRARTMWVZPZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-16(2)10-5-7-11(8-6-10)17-13-12(14)4-3-9-15-13/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of 4-[(3-bromo-2-pyridinyl)oxy]-N,N-dimethylcyclohexan-1-amine?
4-[(3-bromo-2-pyridinyl)oxy]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 299.21 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-2-pyridinyl)oxy]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 126955057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).