3-bromo-5-chloro-N-(cyclohexylmethyl)-N-methylpyridin-2-amine

C13H18BrClN2 — CID 114836828

IUPAC3-bromo-5-chloro-N-(cyclohexylmethyl)-N-methylpyridin-2-amine
SMILESCN(CC1CCCCC1)c1ncc(Cl)cc1Br
InChIInChI=1S/C13H18BrClN2/c1-17(9-10-5-3-2-4-6-10)13-12(14)7-11(15)8-16-13/h7-8,10H,2-6,9H2,1H3
InChIKeyACHQVZVPPPUZCR-UHFFFAOYSA-N
MW317.66 g/mol
LogP4.51
Rot. Bonds3

About 3-bromo-5-chloro-N-(cyclohexylmethyl)-N-methylpyridin-2-amine

3-bromo-5-chloro-N-(cyclohexylmethyl)-N-methylpyridin-2-amine (PubChem CID 114836828) has the molecular formula C13H18BrClN2 and a molecular weight of 317.66 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(cyclohexylmethyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(cyclohexylmethyl)-N-methylpyridin-2-amine
PubChem CID114836828
Molecular FormulaC13H18BrClN2
Molecular Weight317.66 g/mol
Exact Mass316.03
IUPAC Name3-bromo-5-chloro-N-(cyclohexylmethyl)-N-methylpyridin-2-amine
SMILESCN(CC1CCCCC1)c1ncc(Cl)cc1Br
InChIInChI=1S/C13H18BrClN2/c1-17(9-10-5-3-2-4-6-10)13-12(14)7-11(15)8-16-13/h7-8,10H,2-6,9H2,1H3
InChIKeyACHQVZVPPPUZCR-UHFFFAOYSA-N
XLogP4.51
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.66
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
CID 107400758
5-chloro-N-(cyclopropylmethyl)-3-fluoro-N-methylpyridin-2-amine
CID 79727577
3-bromo-5-chloro-N-cyclobutyl-N-methylpyridin-2-amine
CID 114837418
3-bromo-5-chloro-N-(2-chlorocyclohexyl)-N-methylpyridin-2-amine
CID 102637773
5-bromo-N-(cyclopentylmethyl)-N,4-dimethylpyridin-2-amine
CID 114870435
2-[(3-bromo-5-chloro-2-pyridinyl)-cyclohexylamino]ethanol
CID 114836476
3-bromo-5-chloro-N-cyclopentyl-N-(2-methylpropyl)pyridin-2-amine
CID 114837268
3-bromo-5-chloro-N-(3-chlorobutyl)-N-methylpyridin-2-amine
CID 114838625
N'-(3-bromo-5-chloro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 114835445
5-chloro-6-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxamide
CID 75418381
3-(aminomethyl)-5-bromo-N-(cyclobutylmethyl)-N-methylpyridin-2-amine
CID 62855860
3-bromo-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 114837069

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(cyclohexylmethyl)-N-methylpyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-(cyclohexylmethyl)-N-methylpyridin-2-amine (CID 114836828) is 3-bromo-5-chloro-N-(cyclohexylmethyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-(cyclohexylmethyl)-N-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-(cyclohexylmethyl)-N-methylpyridin-2-amine is CN(CC1CCCCC1)c1ncc(Cl)cc1Br.
What is the InChIKey of 3-bromo-5-chloro-N-(cyclohexylmethyl)-N-methylpyridin-2-amine?
The InChIKey is ACHQVZVPPPUZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2/c1-17(9-10-5-3-2-4-6-10)13-12(14)7-11(15)8-16-13/h7-8,10H,2-6,9H2,1H3.
What are the key properties of 3-bromo-5-chloro-N-(cyclohexylmethyl)-N-methylpyridin-2-amine?
3-bromo-5-chloro-N-(cyclohexylmethyl)-N-methylpyridin-2-amine has a molecular weight of 317.66 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(cyclohexylmethyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 114836828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).