5-bromo-2-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline

C14H17BrF3NO — CID 64758489

IUPAC5-bromo-2-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline
SMILESCOc1ccc(Br)cc1NC1CCCCC1C(F)(F)F
InChIInChI=1S/C14H17BrF3NO/c1-20-13-7-6-9(15)8-12(13)19-11-5-3-2-4-10(11)14(16,17)18/h6-8,10-11,19H,2-5H2,1H3
InChIKeyIAPGQYBXUOCHFX-UHFFFAOYSA-N
MW352.19 g/mol
LogP4.99
Rot. Bonds3

About 5-bromo-2-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline

5-bromo-2-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline (PubChem CID 64758489) has the molecular formula C14H17BrF3NO and a molecular weight of 352.19 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline
PubChem CID64758489
Molecular FormulaC14H17BrF3NO
Molecular Weight352.19 g/mol
Exact Mass351.04
IUPAC Name5-bromo-2-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline
SMILESCOc1ccc(Br)cc1NC1CCCCC1C(F)(F)F
InChIInChI=1S/C14H17BrF3NO/c1-20-13-7-6-9(15)8-12(13)19-11-5-3-2-4-10(11)14(16,17)18/h6-8,10-11,19H,2-5H2,1H3
InChIKeyIAPGQYBXUOCHFX-UHFFFAOYSA-N
XLogP4.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-5-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 103412212
4-bromo-3-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 82857596
N-(2-tert-butylcyclohexyl)-5-chloro-2-methoxyaniline
CID 43095755
4-(5-bromo-2-methoxyanilino)cyclohexan-1-ol
CID 106594504
5-bromo-2-methoxy-N-(4-propylcyclohexyl)aniline
CID 63455703
5-bromo-2,4-difluoro-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 102853225
N-(5-bromo-2-methoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 54968199
5-bromo-N-(3,4-dimethylcyclohexyl)-2-methoxyaniline
CID 64744839
4-fluoro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64757052
N-(5-bromo-2-methoxyphenyl)-4-ethylcycloheptan-1-amine
CID 65083314
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 60957296
3,4-dimethoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide
CID 35232205

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline?
The IUPAC name of 5-bromo-2-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline (CID 64758489) is 5-bromo-2-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline.
What is the SMILES notation for 5-bromo-2-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline?
The canonical SMILES for 5-bromo-2-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline is COc1ccc(Br)cc1NC1CCCCC1C(F)(F)F.
What is the InChIKey of 5-bromo-2-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline?
The InChIKey is IAPGQYBXUOCHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF3NO/c1-20-13-7-6-9(15)8-12(13)19-11-5-3-2-4-10(11)14(16,17)18/h6-8,10-11,19H,2-5H2,1H3.
What are the key properties of 5-bromo-2-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline?
5-bromo-2-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline has a molecular weight of 352.19 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline is sourced from PubChem (CID 64758489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).