4-bromo-2-fluoro-N-(4-propan-2-ylcyclohexyl)aniline

C15H21BrFN — CID 63419248

IUPAC4-bromo-2-fluoro-N-(4-propan-2-ylcyclohexyl)aniline
SMILESCC(C)C1CCC(Nc2ccc(Br)cc2F)CC1
InChIInChI=1S/C15H21BrFN/c1-10(2)11-3-6-13(7-4-11)18-15-8-5-12(16)9-14(15)17/h5,8-11,13,18H,3-4,6-7H2,1-2H3
InChIKeyKKEXOTKHVFBUIA-UHFFFAOYSA-N
MW314.24 g/mol
LogP5.21
Rot. Bonds3

About 4-bromo-2-fluoro-N-(4-propan-2-ylcyclohexyl)aniline

4-bromo-2-fluoro-N-(4-propan-2-ylcyclohexyl)aniline (PubChem CID 63419248) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(4-propan-2-ylcyclohexyl)aniline.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(4-propan-2-ylcyclohexyl)aniline
PubChem CID63419248
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC Name4-bromo-2-fluoro-N-(4-propan-2-ylcyclohexyl)aniline
SMILESCC(C)C1CCC(Nc2ccc(Br)cc2F)CC1
InChIInChI=1S/C15H21BrFN/c1-10(2)11-3-6-13(7-4-11)18-15-8-5-12(16)9-14(15)17/h5,8-11,13,18H,3-4,6-7H2,1-2H3
InChIKeyKKEXOTKHVFBUIA-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.24
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-chloro-N-(4-propan-2-ylcyclohexyl)aniline
CID 63423041
N-(4-bromo-2-fluorophenyl)piperidin-4-amine
CID 61016241
N-(4-bromo-2-ethylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 81292475
N-(4-bromo-2-fluorophenyl)azepan-4-amine
CID 103980423
3-bromo-4-fluoro-N-(4-propan-2-ylcyclohexyl)aniline
CID 113451908
2-(4-bromo-2-fluoroanilino)-N-cyclopropylpropanamide
CID 43088710
4-bromo-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447762
N-(5-bromo-2-fluorophenyl)-1-propan-2-ylpiperidin-4-amine
CID 43555455
1-N-(4-bromo-2-fluorophenyl)cyclohexane-1,3-diamine
CID 79459495
N-[(5-bromo-2-fluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091603
4-(5-bromo-2-fluoroanilino)cyclohexan-1-ol
CID 106593664
4-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-2-fluoroaniline
CID 43759747

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(4-propan-2-ylcyclohexyl)aniline?
The IUPAC name of 4-bromo-2-fluoro-N-(4-propan-2-ylcyclohexyl)aniline (CID 63419248) is 4-bromo-2-fluoro-N-(4-propan-2-ylcyclohexyl)aniline.
What is the SMILES notation for 4-bromo-2-fluoro-N-(4-propan-2-ylcyclohexyl)aniline?
The canonical SMILES for 4-bromo-2-fluoro-N-(4-propan-2-ylcyclohexyl)aniline is CC(C)C1CCC(Nc2ccc(Br)cc2F)CC1.
What is the InChIKey of 4-bromo-2-fluoro-N-(4-propan-2-ylcyclohexyl)aniline?
The InChIKey is KKEXOTKHVFBUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-10(2)11-3-6-13(7-4-11)18-15-8-5-12(16)9-14(15)17/h5,8-11,13,18H,3-4,6-7H2,1-2H3.
What are the key properties of 4-bromo-2-fluoro-N-(4-propan-2-ylcyclohexyl)aniline?
4-bromo-2-fluoro-N-(4-propan-2-ylcyclohexyl)aniline has a molecular weight of 314.24 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(4-propan-2-ylcyclohexyl)aniline is sourced from PubChem (CID 63419248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).