4-bromo-N-(2,6-dimethylcyclohexyl)-2-(trifluoromethoxy)aniline

C15H19BrF3NO — CID 103192978

IUPAC4-bromo-N-(2,6-dimethylcyclohexyl)-2-(trifluoromethoxy)aniline
SMILESCC1CCCC(C)C1Nc1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C15H19BrF3NO/c1-9-4-3-5-10(2)14(9)20-12-7-6-11(16)8-13(12)21-15(17,18)19/h6-10,14,20H,3-5H2,1-2H3
InChIKeyQRXYTYFUQBWADE-UHFFFAOYSA-N
MW366.22 g/mol
LogP5.58
Rot. Bonds3

About 4-bromo-N-(2,6-dimethylcyclohexyl)-2-(trifluoromethoxy)aniline

4-bromo-N-(2,6-dimethylcyclohexyl)-2-(trifluoromethoxy)aniline (PubChem CID 103192978) has the molecular formula C15H19BrF3NO and a molecular weight of 366.22 g/mol. Its IUPAC name is 4-bromo-N-(2,6-dimethylcyclohexyl)-2-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name4-bromo-N-(2,6-dimethylcyclohexyl)-2-(trifluoromethoxy)aniline
PubChem CID103192978
Molecular FormulaC15H19BrF3NO
Molecular Weight366.22 g/mol
Exact Mass365.06
IUPAC Name4-bromo-N-(2,6-dimethylcyclohexyl)-2-(trifluoromethoxy)aniline
SMILESCC1CCCC(C)C1Nc1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C15H19BrF3NO/c1-9-4-3-5-10(2)14(9)20-12-7-6-11(16)8-13(12)21-15(17,18)19/h6-10,14,20H,3-5H2,1-2H3
InChIKeyQRXYTYFUQBWADE-UHFFFAOYSA-N
XLogP5.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.22
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-methylpiperidin-3-amine
CID 103192890
4-bromo-N-(cyclopentylmethyl)-2-(trifluoromethoxy)aniline
CID 103192838
4-bromo-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethoxy)aniline
CID 103192846
4-bromo-N-(3-ethoxycyclobutyl)-2-(trifluoromethoxy)aniline
CID 103193031
N-[4-bromo-2-(trifluoromethoxy)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 103193509
3-[4-bromo-2-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione
CID 103193075
4-bromo-N-[2-(oxolan-2-yl)ethyl]-2-(trifluoromethoxy)aniline
CID 103193120
4-bromo-N-prop-2-ynyl-2-(trifluoromethoxy)aniline
CID 103192759
4-bromo-N-(3,3-dimethylbutyl)-2-(trifluoromethoxy)aniline
CID 103192792
1-N-[4-bromo-2-(trifluoromethoxy)phenyl]-4-methylbenzene-1,2-diamine
CID 103192723
2-N-[4-bromo-2-(trifluoromethoxy)phenyl]-4-methylbenzene-1,2-diamine
CID 103192731
1-[4-bromo-2-(trifluoromethoxy)phenyl]-3-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)urea
CID 123231356

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,6-dimethylcyclohexyl)-2-(trifluoromethoxy)aniline?
The IUPAC name of 4-bromo-N-(2,6-dimethylcyclohexyl)-2-(trifluoromethoxy)aniline (CID 103192978) is 4-bromo-N-(2,6-dimethylcyclohexyl)-2-(trifluoromethoxy)aniline.
What is the SMILES notation for 4-bromo-N-(2,6-dimethylcyclohexyl)-2-(trifluoromethoxy)aniline?
The canonical SMILES for 4-bromo-N-(2,6-dimethylcyclohexyl)-2-(trifluoromethoxy)aniline is CC1CCCC(C)C1Nc1ccc(Br)cc1OC(F)(F)F.
What is the InChIKey of 4-bromo-N-(2,6-dimethylcyclohexyl)-2-(trifluoromethoxy)aniline?
The InChIKey is QRXYTYFUQBWADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrF3NO/c1-9-4-3-5-10(2)14(9)20-12-7-6-11(16)8-13(12)21-15(17,18)19/h6-10,14,20H,3-5H2,1-2H3.
What are the key properties of 4-bromo-N-(2,6-dimethylcyclohexyl)-2-(trifluoromethoxy)aniline?
4-bromo-N-(2,6-dimethylcyclohexyl)-2-(trifluoromethoxy)aniline has a molecular weight of 366.22 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,6-dimethylcyclohexyl)-2-(trifluoromethoxy)aniline is sourced from PubChem (CID 103192978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).