2-bromo-N-(2-cyclohexylcyclohexyl)-5-fluoroaniline

C18H25BrFN — CID 107632713

IUPAC2-bromo-N-(2-cyclohexylcyclohexyl)-5-fluoroaniline
SMILESFc1ccc(Br)c(NC2CCCCC2C2CCCCC2)c1
InChIInChI=1S/C18H25BrFN/c19-16-11-10-14(20)12-18(16)21-17-9-5-4-8-15(17)13-6-2-1-3-7-13/h10-13,15,17,21H,1-9H2
InChIKeyKYYDFMAAIRFKGA-UHFFFAOYSA-N
MW354.31 g/mol
LogP6.14
Rot. Bonds3

About 2-bromo-N-(2-cyclohexylcyclohexyl)-5-fluoroaniline

2-bromo-N-(2-cyclohexylcyclohexyl)-5-fluoroaniline (PubChem CID 107632713) has the molecular formula C18H25BrFN and a molecular weight of 354.31 g/mol. Its IUPAC name is 2-bromo-N-(2-cyclohexylcyclohexyl)-5-fluoroaniline.

Molecular Properties

Compound Name2-bromo-N-(2-cyclohexylcyclohexyl)-5-fluoroaniline
PubChem CID107632713
Molecular FormulaC18H25BrFN
Molecular Weight354.31 g/mol
Exact Mass353.12
IUPAC Name2-bromo-N-(2-cyclohexylcyclohexyl)-5-fluoroaniline
SMILESFc1ccc(Br)c(NC2CCCCC2C2CCCCC2)c1
InChIInChI=1S/C18H25BrFN/c19-16-11-10-14(20)12-18(16)21-17-9-5-4-8-15(17)13-6-2-1-3-7-13/h10-13,15,17,21H,1-9H2
InChIKeyKYYDFMAAIRFKGA-UHFFFAOYSA-N
XLogP6.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.31
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-5-fluoroanilino)cyclopentan-1-ol
CID 107635614
2-bromo-N-cyclobutyl-5-fluoroaniline
CID 107633201
2,4-dibromo-N-(2-cyclohexylcyclohexyl)aniline
CID 63427336
2-bromo-5-fluoro-N-(2-methylcyclopentyl)aniline
CID 107632740
N-(2-bromo-5-fluorophenyl)piperidin-4-amine
CID 107632991
N-(2-bromo-4-fluorophenyl)cyclooctanamine
CID 28939094
N-(2-bromo-5-fluorophenyl)oxolan-3-amine
CID 107633205
2,5-dibromo-N-(2-piperidin-2-ylcyclohexyl)aniline
CID 79540376
N-(2-bromo-5-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 107632980
3-chloro-N-(2-cyclohexylcyclohexyl)-4-fluoroaniline
CID 63421987
N-(2-bromo-5-fluorophenyl)-1,1-dioxothiolan-3-amine
CID 107633424
2-bromo-4-fluoro-N-(2-methylcyclopentyl)aniline
CID 65046775

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-cyclohexylcyclohexyl)-5-fluoroaniline?
The IUPAC name of 2-bromo-N-(2-cyclohexylcyclohexyl)-5-fluoroaniline (CID 107632713) is 2-bromo-N-(2-cyclohexylcyclohexyl)-5-fluoroaniline.
What is the SMILES notation for 2-bromo-N-(2-cyclohexylcyclohexyl)-5-fluoroaniline?
The canonical SMILES for 2-bromo-N-(2-cyclohexylcyclohexyl)-5-fluoroaniline is Fc1ccc(Br)c(NC2CCCCC2C2CCCCC2)c1.
What is the InChIKey of 2-bromo-N-(2-cyclohexylcyclohexyl)-5-fluoroaniline?
The InChIKey is KYYDFMAAIRFKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrFN/c19-16-11-10-14(20)12-18(16)21-17-9-5-4-8-15(17)13-6-2-1-3-7-13/h10-13,15,17,21H,1-9H2.
What are the key properties of 2-bromo-N-(2-cyclohexylcyclohexyl)-5-fluoroaniline?
2-bromo-N-(2-cyclohexylcyclohexyl)-5-fluoroaniline has a molecular weight of 354.31 g/mol, XLogP of 6.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-cyclohexylcyclohexyl)-5-fluoroaniline is sourced from PubChem (CID 107632713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).