3-bromo-N-(1-cyclohexylethyl)-4-fluoroaniline

C14H19BrFN — CID 113451928

IUPAC3-bromo-N-(1-cyclohexylethyl)-4-fluoroaniline
SMILESCC(Nc1ccc(F)c(Br)c1)C1CCCCC1
InChIInChI=1S/C14H19BrFN/c1-10(11-5-3-2-4-6-11)17-12-7-8-14(16)13(15)9-12/h7-11,17H,2-6H2,1H3
InChIKeyAUSSRZUZKHZLSC-UHFFFAOYSA-N
MW300.21 g/mol
LogP4.97
Rot. Bonds3

About 3-bromo-N-(1-cyclohexylethyl)-4-fluoroaniline

3-bromo-N-(1-cyclohexylethyl)-4-fluoroaniline (PubChem CID 113451928) has the molecular formula C14H19BrFN and a molecular weight of 300.21 g/mol. Its IUPAC name is 3-bromo-N-(1-cyclohexylethyl)-4-fluoroaniline.

Molecular Properties

Compound Name3-bromo-N-(1-cyclohexylethyl)-4-fluoroaniline
PubChem CID113451928
Molecular FormulaC14H19BrFN
Molecular Weight300.21 g/mol
Exact Mass299.07
IUPAC Name3-bromo-N-(1-cyclohexylethyl)-4-fluoroaniline
SMILESCC(Nc1ccc(F)c(Br)c1)C1CCCCC1
InChIInChI=1S/C14H19BrFN/c1-10(11-5-3-2-4-6-11)17-12-7-8-14(16)13(15)9-12/h7-11,17H,2-6H2,1H3
InChIKeyAUSSRZUZKHZLSC-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-4-fluoro-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
CID 115929850
3-bromo-N-(1-cyclohexylethyl)-4-methylaniline
CID 55192209
3-bromo-N-[di(cyclobutyl)methyl]-4-fluoroaniline
CID 112743249
4-chloro-N-(1-cyclohexylethyl)-3-fluoroaniline
CID 43786160
2-bromo-4-(1-cyclohexylethylamino)benzonitrile
CID 107276282
5-bromo-N-(1-cyclopentylethyl)-2-fluoroaniline
CID 63424276
3-bromo-4-fluoro-N-(4-propan-2-ylcyclohexyl)aniline
CID 113451908
4-bromo-N-(1-cyclohexylethyl)-3-nitroaniline
CID 79767906
N-(1-cyclohexylethyl)-3-methylaniline
CID 43755613
N-(1-cyclopentylethyl)-3,4-dimethylaniline
CID 62634053
3-chloro-N-(1-cyclohexylethyl)aniline
CID 43762066
3-bromo-N-[1-(3,5-difluorophenyl)ethyl]-4-fluoroaniline
CID 104775807

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-cyclohexylethyl)-4-fluoroaniline?
The IUPAC name of 3-bromo-N-(1-cyclohexylethyl)-4-fluoroaniline (CID 113451928) is 3-bromo-N-(1-cyclohexylethyl)-4-fluoroaniline.
What is the SMILES notation for 3-bromo-N-(1-cyclohexylethyl)-4-fluoroaniline?
The canonical SMILES for 3-bromo-N-(1-cyclohexylethyl)-4-fluoroaniline is CC(Nc1ccc(F)c(Br)c1)C1CCCCC1.
What is the InChIKey of 3-bromo-N-(1-cyclohexylethyl)-4-fluoroaniline?
The InChIKey is AUSSRZUZKHZLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c1-10(11-5-3-2-4-6-11)17-12-7-8-14(16)13(15)9-12/h7-11,17H,2-6H2,1H3.
What are the key properties of 3-bromo-N-(1-cyclohexylethyl)-4-fluoroaniline?
3-bromo-N-(1-cyclohexylethyl)-4-fluoroaniline has a molecular weight of 300.21 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-cyclohexylethyl)-4-fluoroaniline is sourced from PubChem (CID 113451928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).