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

C13H17BrFN — CID 29052172

IUPAC4-bromo-N-(cyclohexylmethyl)-2-fluoroaniline
SMILESFc1cc(Br)ccc1NCC1CCCCC1
InChIInChI=1S/C13H17BrFN/c14-11-6-7-13(12(15)8-11)16-9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9H2
InChIKeyCMYZRFFUYGQOJC-UHFFFAOYSA-N
MW286.19 g/mol
LogP4.58
Rot. Bonds3

About 4-bromo-N-(cyclohexylmethyl)-2-fluoroaniline

4-bromo-N-(cyclohexylmethyl)-2-fluoroaniline (PubChem CID 29052172) has the molecular formula C13H17BrFN and a molecular weight of 286.19 g/mol. Its IUPAC name is 4-bromo-N-(cyclohexylmethyl)-2-fluoroaniline.

Molecular Properties

Compound Name4-bromo-N-(cyclohexylmethyl)-2-fluoroaniline
PubChem CID29052172
Molecular FormulaC13H17BrFN
Molecular Weight286.19 g/mol
Exact Mass285.05
IUPAC Name4-bromo-N-(cyclohexylmethyl)-2-fluoroaniline
SMILESFc1cc(Br)ccc1NCC1CCCCC1
InChIInChI=1S/C13H17BrFN/c14-11-6-7-13(12(15)8-11)16-9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9H2
InChIKeyCMYZRFFUYGQOJC-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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Related Compounds

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N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-fluoroaniline
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1-N-(cyclohexylmethyl)-4-fluorobenzene-1,2-diamine
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2-(4-bromo-2-fluoroanilino)-N-cyclopentylacetamide
CID 28574766
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 3-cyclohexylpropanoate
CID 8815750
N-(cyclopentylmethyl)-2,5-difluoro-4-methylaniline
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2-(4-bromo-2-fluoroanilino)cycloheptan-1-ol
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5-bromo-2-fluoro-N-[(1-methylpiperidin-3-yl)methyl]aniline
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2-chloro-N-(cyclopentylmethyl)-4-fluoroaniline
CID 61343734

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(cyclohexylmethyl)-2-fluoroaniline?
The IUPAC name of 4-bromo-N-(cyclohexylmethyl)-2-fluoroaniline (CID 29052172) is 4-bromo-N-(cyclohexylmethyl)-2-fluoroaniline.
What is the SMILES notation for 4-bromo-N-(cyclohexylmethyl)-2-fluoroaniline?
The canonical SMILES for 4-bromo-N-(cyclohexylmethyl)-2-fluoroaniline is Fc1cc(Br)ccc1NCC1CCCCC1.
What is the InChIKey of 4-bromo-N-(cyclohexylmethyl)-2-fluoroaniline?
The InChIKey is CMYZRFFUYGQOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN/c14-11-6-7-13(12(15)8-11)16-9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9H2.
What are the key properties of 4-bromo-N-(cyclohexylmethyl)-2-fluoroaniline?
4-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 4-bromo-N-(cyclohexylmethyl)-2-fluoroaniline is sourced from PubChem (CID 29052172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).