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

C13H17BrFN — CID 43555431

IUPAC5-bromo-N-(cyclohexylmethyl)-2-fluoroaniline
SMILESFc1ccc(Br)cc1NCC1CCCCC1
InChIInChI=1S/C13H17BrFN/c14-11-6-7-12(15)13(8-11)16-9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9H2
InChIKeyMUEFABQDMYCXCZ-UHFFFAOYSA-N
MW286.19 g/mol
LogP4.58
Rot. Bonds3

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

5-bromo-N-(cyclohexylmethyl)-2-fluoroaniline (PubChem CID 43555431) has the molecular formula C13H17BrFN and a molecular weight of 286.19 g/mol. Its IUPAC name is 5-bromo-N-(cyclohexylmethyl)-2-fluoroaniline.

Molecular Properties

Compound Name5-bromo-N-(cyclohexylmethyl)-2-fluoroaniline
PubChem CID43555431
Molecular FormulaC13H17BrFN
Molecular Weight286.19 g/mol
Exact Mass285.05
IUPAC Name5-bromo-N-(cyclohexylmethyl)-2-fluoroaniline
SMILESFc1ccc(Br)cc1NCC1CCCCC1
InChIInChI=1S/C13H17BrFN/c14-11-6-7-12(15)13(8-11)16-9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9H2
InChIKeyMUEFABQDMYCXCZ-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(cyclohexylmethyl)-2-fluoroaniline?
The IUPAC name of 5-bromo-N-(cyclohexylmethyl)-2-fluoroaniline (CID 43555431) is 5-bromo-N-(cyclohexylmethyl)-2-fluoroaniline.
What is the SMILES notation for 5-bromo-N-(cyclohexylmethyl)-2-fluoroaniline?
The canonical SMILES for 5-bromo-N-(cyclohexylmethyl)-2-fluoroaniline is Fc1ccc(Br)cc1NCC1CCCCC1.
What is the InChIKey of 5-bromo-N-(cyclohexylmethyl)-2-fluoroaniline?
The InChIKey is MUEFABQDMYCXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN/c14-11-6-7-12(15)13(8-11)16-9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9H2.
What are the key properties of 5-bromo-N-(cyclohexylmethyl)-2-fluoroaniline?
5-bromo-N-(cyclohexylmethyl)-2-fluoroaniline has a molecular weight of 286.19 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cyclohexylmethyl)-2-fluoroaniline is sourced from PubChem (CID 43555431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).