2-bromo-4,6-difluoro-N-(3-propan-2-ylcyclohexyl)aniline

C15H20BrF2N — CID 107447963

IUPAC2-bromo-4,6-difluoro-N-(3-propan-2-ylcyclohexyl)aniline
SMILESCC(C)C1CCCC(Nc2c(F)cc(F)cc2Br)C1
InChIInChI=1S/C15H20BrF2N/c1-9(2)10-4-3-5-12(6-10)19-15-13(16)7-11(17)8-14(15)18/h7-10,12,19H,3-6H2,1-2H3
InChIKeyCXJNEBHJFKOVJQ-UHFFFAOYSA-N
MW332.23 g/mol
LogP5.35
Rot. Bonds3

About 2-bromo-4,6-difluoro-N-(3-propan-2-ylcyclohexyl)aniline

2-bromo-4,6-difluoro-N-(3-propan-2-ylcyclohexyl)aniline (PubChem CID 107447963) has the molecular formula C15H20BrF2N and a molecular weight of 332.23 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-(3-propan-2-ylcyclohexyl)aniline.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-(3-propan-2-ylcyclohexyl)aniline
PubChem CID107447963
Molecular FormulaC15H20BrF2N
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC Name2-bromo-4,6-difluoro-N-(3-propan-2-ylcyclohexyl)aniline
SMILESCC(C)C1CCCC(Nc2c(F)cc(F)cc2Br)C1
InChIInChI=1S/C15H20BrF2N/c1-9(2)10-4-3-5-12(6-10)19-15-13(16)7-11(17)8-14(15)18/h7-10,12,19H,3-6H2,1-2H3
InChIKeyCXJNEBHJFKOVJQ-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.23
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-difluoro-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447829
N-(2-bromo-4,6-difluorophenyl)-4-tert-butylcycloheptan-1-amine
CID 65089523
2-bromo-4,6-difluoro-N-(4-methylcyclohexyl)aniline
CID 43168287
tert-butyl N-[3-(2-bromo-4,6-difluoroanilino)cyclohexyl]carbamate
CID 113247870
N-(2-bromo-4,6-difluorophenyl)spiro[4.5]decan-8-amine
CID 114817235
2-(2-bromo-4,6-difluoroanilino)-N-cyclopropylpropanamide
CID 43347726
3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447823
4-bromo-3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107571665
N-(2-bromo-4,6-difluorophenyl)-1,1-dioxothiolan-3-amine
CID 43347704
2,3,4-trifluoro-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447775
N-(3-fluoro-5-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 79055016
2-bromo-N-(1,1-difluoropropan-2-yl)-4,6-difluoroaniline
CID 102868237

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-(3-propan-2-ylcyclohexyl)aniline?
The IUPAC name of 2-bromo-4,6-difluoro-N-(3-propan-2-ylcyclohexyl)aniline (CID 107447963) is 2-bromo-4,6-difluoro-N-(3-propan-2-ylcyclohexyl)aniline.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-(3-propan-2-ylcyclohexyl)aniline?
The canonical SMILES for 2-bromo-4,6-difluoro-N-(3-propan-2-ylcyclohexyl)aniline is CC(C)C1CCCC(Nc2c(F)cc(F)cc2Br)C1.
What is the InChIKey of 2-bromo-4,6-difluoro-N-(3-propan-2-ylcyclohexyl)aniline?
The InChIKey is CXJNEBHJFKOVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF2N/c1-9(2)10-4-3-5-12(6-10)19-15-13(16)7-11(17)8-14(15)18/h7-10,12,19H,3-6H2,1-2H3.
What are the key properties of 2-bromo-4,6-difluoro-N-(3-propan-2-ylcyclohexyl)aniline?
2-bromo-4,6-difluoro-N-(3-propan-2-ylcyclohexyl)aniline has a molecular weight of 332.23 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-N-(3-propan-2-ylcyclohexyl)aniline is sourced from PubChem (CID 107447963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).