3-bromo-N-(2,6-dimethylcyclohexyl)-4-fluoroaniline

C14H19BrFN — CID 104776139

IUPAC3-bromo-N-(2,6-dimethylcyclohexyl)-4-fluoroaniline
SMILESCC1CCCC(C)C1Nc1ccc(F)c(Br)c1
InChIInChI=1S/C14H19BrFN/c1-9-4-3-5-10(2)14(9)17-11-6-7-13(16)12(15)8-11/h6-10,14,17H,3-5H2,1-2H3
InChIKeyUOHNGHJYEINPGD-UHFFFAOYSA-N
MW300.22 g/mol
LogP4.82
Rot. Bonds2

About 3-bromo-N-(2,6-dimethylcyclohexyl)-4-fluoroaniline

3-bromo-N-(2,6-dimethylcyclohexyl)-4-fluoroaniline (PubChem CID 104776139) has the molecular formula C14H19BrFN and a molecular weight of 300.22 g/mol. Its IUPAC name is 3-bromo-N-(2,6-dimethylcyclohexyl)-4-fluoroaniline.

Molecular Properties

Compound Name3-bromo-N-(2,6-dimethylcyclohexyl)-4-fluoroaniline
PubChem CID104776139
Molecular FormulaC14H19BrFN
Molecular Weight300.22 g/mol
Exact Mass299.07
IUPAC Name3-bromo-N-(2,6-dimethylcyclohexyl)-4-fluoroaniline
SMILESCC1CCCC(C)C1Nc1ccc(F)c(Br)c1
InChIInChI=1S/C14H19BrFN/c1-9-4-3-5-10(2)14(9)17-11-6-7-13(16)12(15)8-11/h6-10,14,17H,3-5H2,1-2H3
InChIKeyUOHNGHJYEINPGD-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2,6-dimethylcyclohexyl)amino]-2-fluorophenol
CID 64792592
5-[(2,6-dimethylcyclohexyl)amino]-2-fluorobenzonitrile
CID 63476932
N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine
CID 104776025
N-(2,6-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline
CID 43380623
3-bromo-N-(3-ethylcyclohexyl)-4-fluoroaniline
CID 113451910
N-(2,6-dimethylcyclohexyl)-2,3-dihydro-1H-inden-5-amine
CID 43096766
3-bromo-4-fluoro-N-(4-propan-2-ylcyclohexyl)aniline
CID 113451908
3-bromo-N-[di(cyclobutyl)methyl]-4-fluoroaniline
CID 112743249
3-bromo-4-fluoro-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 104775706
N-(2,3-dimethylcyclohexyl)-3,4-difluoroaniline
CID 64776370
N-(3-bromo-4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 113451938
(3S)-N-(3-bromo-4-fluorophenyl)thian-3-amine
CID 97358764

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,6-dimethylcyclohexyl)-4-fluoroaniline?
The IUPAC name of 3-bromo-N-(2,6-dimethylcyclohexyl)-4-fluoroaniline (CID 104776139) is 3-bromo-N-(2,6-dimethylcyclohexyl)-4-fluoroaniline.
What is the SMILES notation for 3-bromo-N-(2,6-dimethylcyclohexyl)-4-fluoroaniline?
The canonical SMILES for 3-bromo-N-(2,6-dimethylcyclohexyl)-4-fluoroaniline is CC1CCCC(C)C1Nc1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-N-(2,6-dimethylcyclohexyl)-4-fluoroaniline?
The InChIKey is UOHNGHJYEINPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c1-9-4-3-5-10(2)14(9)17-11-6-7-13(16)12(15)8-11/h6-10,14,17H,3-5H2,1-2H3.
What are the key properties of 3-bromo-N-(2,6-dimethylcyclohexyl)-4-fluoroaniline?
3-bromo-N-(2,6-dimethylcyclohexyl)-4-fluoroaniline has a molecular weight of 300.22 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,6-dimethylcyclohexyl)-4-fluoroaniline is sourced from PubChem (CID 104776139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).