N-(2-bromocyclohexyl)-3,5-difluoro-N-methylpyridin-2-amine

C12H15BrF2N2 — CID 102637591

IUPACN-(2-bromocyclohexyl)-3,5-difluoro-N-methylpyridin-2-amine
SMILESCN(c1ncc(F)cc1F)C1CCCCC1Br
InChIInChI=1S/C12H15BrF2N2/c1-17(11-5-3-2-4-9(11)13)12-10(15)6-8(14)7-16-12/h6-7,9,11H,2-5H2,1H3
InChIKeyYYDFNRBKJBGYBF-UHFFFAOYSA-N
MW305.17 g/mol
LogP3.50
Rot. Bonds2

About N-(2-bromocyclohexyl)-3,5-difluoro-N-methylpyridin-2-amine

N-(2-bromocyclohexyl)-3,5-difluoro-N-methylpyridin-2-amine (PubChem CID 102637591) has the molecular formula C12H15BrF2N2 and a molecular weight of 305.17 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-3,5-difluoro-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-3,5-difluoro-N-methylpyridin-2-amine
PubChem CID102637591
Molecular FormulaC12H15BrF2N2
Molecular Weight305.17 g/mol
Exact Mass304.04
IUPAC NameN-(2-bromocyclohexyl)-3,5-difluoro-N-methylpyridin-2-amine
SMILESCN(c1ncc(F)cc1F)C1CCCCC1Br
InChIInChI=1S/C12H15BrF2N2/c1-17(11-5-3-2-4-9(11)13)12-10(15)6-8(14)7-16-12/h6-7,9,11H,2-5H2,1H3
InChIKeyYYDFNRBKJBGYBF-UHFFFAOYSA-N
XLogP3.50
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromocyclohexyl)-3-fluoro-N-methylpyridin-2-amine
CID 102637629
N-(2-bromocyclohexyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 102637634
N-(2-bromocyclohexyl)-5-iodo-N-methylpyrimidin-2-amine
CID 102637613
N-(2-bromocyclohexyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 102637593
N-(2-bromocyclohexyl)-N,5-dimethylpyridin-2-amine
CID 102637695
N-(2-bromocyclohexyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 102637671
4-N-(3,5-difluoro-2-pyridinyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 115993876
N-(2-bromocyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 102637670
4-[(2-bromocyclohexyl)-methylamino]-5-chloro-1H-pyrimidin-6-one
CID 136859486
N'-cyclopentyl-N'-(3,5-difluoro-2-pyridinyl)propane-1,3-diamine
CID 112675387
N-(2-bromocyclohexyl)-N,4-dimethylphthalazin-1-amine
CID 102637599
N-(2-bromocyclohexyl)-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 102637612

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-3,5-difluoro-N-methylpyridin-2-amine?
The IUPAC name of N-(2-bromocyclohexyl)-3,5-difluoro-N-methylpyridin-2-amine (CID 102637591) is N-(2-bromocyclohexyl)-3,5-difluoro-N-methylpyridin-2-amine.
What is the SMILES notation for N-(2-bromocyclohexyl)-3,5-difluoro-N-methylpyridin-2-amine?
The canonical SMILES for N-(2-bromocyclohexyl)-3,5-difluoro-N-methylpyridin-2-amine is CN(c1ncc(F)cc1F)C1CCCCC1Br.
What is the InChIKey of N-(2-bromocyclohexyl)-3,5-difluoro-N-methylpyridin-2-amine?
The InChIKey is YYDFNRBKJBGYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrF2N2/c1-17(11-5-3-2-4-9(11)13)12-10(15)6-8(14)7-16-12/h6-7,9,11H,2-5H2,1H3.
What are the key properties of N-(2-bromocyclohexyl)-3,5-difluoro-N-methylpyridin-2-amine?
N-(2-bromocyclohexyl)-3,5-difluoro-N-methylpyridin-2-amine has a molecular weight of 305.17 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-3,5-difluoro-N-methylpyridin-2-amine is sourced from PubChem (CID 102637591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).