4-bromo-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethoxy)aniline

C15H19BrF3NO — CID 103192846

IUPAC4-bromo-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethoxy)aniline
SMILESCC1CCC(CNc2ccc(Br)cc2OC(F)(F)F)CC1
InChIInChI=1S/C15H19BrF3NO/c1-10-2-4-11(5-3-10)9-20-13-7-6-12(16)8-14(13)21-15(17,18)19/h6-8,10-11,20H,2-5,9H2,1H3
InChIKeyJJPWETITBAZBSZ-UHFFFAOYSA-N
MW366.22 g/mol
LogP5.59
Rot. Bonds4

About 4-bromo-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethoxy)aniline

4-bromo-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethoxy)aniline (PubChem CID 103192846) has the molecular formula C15H19BrF3NO and a molecular weight of 366.22 g/mol. Its IUPAC name is 4-bromo-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name4-bromo-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethoxy)aniline
PubChem CID103192846
Molecular FormulaC15H19BrF3NO
Molecular Weight366.22 g/mol
Exact Mass365.06
IUPAC Name4-bromo-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethoxy)aniline
SMILESCC1CCC(CNc2ccc(Br)cc2OC(F)(F)F)CC1
InChIInChI=1S/C15H19BrF3NO/c1-10-2-4-11(5-3-10)9-20-13-7-6-12(16)8-14(13)21-15(17,18)19/h6-8,10-11,20H,2-5,9H2,1H3
InChIKeyJJPWETITBAZBSZ-UHFFFAOYSA-N
XLogP5.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.22
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(cyclopentylmethyl)-2-(trifluoromethoxy)aniline
CID 103192838
4-bromo-N-(oxolan-3-ylmethyl)-2-(trifluoromethoxy)aniline
CID 103192873
4-bromo-N-prop-2-ynyl-2-(trifluoromethoxy)aniline
CID 103192759
4-bromo-N-(3,3-dimethylbutyl)-2-(trifluoromethoxy)aniline
CID 103192792
N-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline
CID 43560291
4-bromo-N-(2,6-dimethylcyclohexyl)-2-(trifluoromethoxy)aniline
CID 103192978
5-bromo-N-[(3-methylcyclopentyl)methyl]-2-(trifluoromethyl)aniline
CID 107414090
4-bromo-N-(2-ethylbutyl)-2-(trifluoromethoxy)aniline
CID 103192902
4-bromo-N-(3-methoxy-3-methylbutyl)-2-(trifluoromethoxy)aniline
CID 103193196
4-bromo-N-(3-methylbut-2-enyl)-2-(trifluoromethoxy)aniline
CID 107900413
4-bromo-N-[2-(oxolan-2-yl)ethyl]-2-(trifluoromethoxy)aniline
CID 103193120
N-benzyl-4-bromo-2-(trifluoromethoxy)aniline
CID 103192753

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethoxy)aniline?
The IUPAC name of 4-bromo-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethoxy)aniline (CID 103192846) is 4-bromo-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethoxy)aniline.
What is the SMILES notation for 4-bromo-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethoxy)aniline?
The canonical SMILES for 4-bromo-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethoxy)aniline is CC1CCC(CNc2ccc(Br)cc2OC(F)(F)F)CC1.
What is the InChIKey of 4-bromo-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethoxy)aniline?
The InChIKey is JJPWETITBAZBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrF3NO/c1-10-2-4-11(5-3-10)9-20-13-7-6-12(16)8-14(13)21-15(17,18)19/h6-8,10-11,20H,2-5,9H2,1H3.
What are the key properties of 4-bromo-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethoxy)aniline?
4-bromo-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethoxy)aniline has a molecular weight of 366.22 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethoxy)aniline is sourced from PubChem (CID 103192846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).