5-bromo-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline

C10H11BrF3NO — CID 115257749

IUPAC5-bromo-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCOc1ccc(Br)cc1N(C)CC(F)(F)F
InChIInChI=1S/C10H11BrF3NO/c1-15(6-10(12,13)14)8-5-7(11)3-4-9(8)16-2/h3-5H,6H2,1-2H3
InChIKeyICCNWIIMQDIFTP-UHFFFAOYSA-N
MW298.10 g/mol
LogP3.46
Rot. Bonds3

About 5-bromo-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline

5-bromo-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 115257749) has the molecular formula C10H11BrF3NO and a molecular weight of 298.10 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline
PubChem CID115257749
Molecular FormulaC10H11BrF3NO
Molecular Weight298.10 g/mol
Exact Mass297.00
IUPAC Name5-bromo-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCOc1ccc(Br)cc1N(C)CC(F)(F)F
InChIInChI=1S/C10H11BrF3NO/c1-15(6-10(12,13)14)8-5-7(11)3-4-9(8)16-2/h3-5H,6H2,1-2H3
InChIKeyICCNWIIMQDIFTP-UHFFFAOYSA-N
XLogP3.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.10
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-bromo-2-methoxy-N-methylanilino)-2,2-dimethylpropan-1-ol
CID 115135209
5-chloro-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257735
5-bromo-N,2-dimethyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257817
4-(5-bromo-2-methoxy-N-methylanilino)-3,3-dimethylbutanoic acid
CID 115220273
3-(5-bromo-2-methoxy-N-methylanilino)propane-1-thiol
CID 115224713
2-(1-aminoethyl)-5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 82971346
2-(aminomethyl)-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 114889509
N-(5-bromo-2-methoxyphenyl)-N-methylcarbamoyl bromide
CID 115193399
4-(5-bromo-2-methoxy-N-methylanilino)butanoic acid
CID 115218519
5-bromo-2-methoxy-N-methyl-N-(piperazin-1-ylmethyl)aniline
CID 115229876
2-amino-N-(5-bromo-2-methoxyphenyl)-N-methylacetamide
CID 82502070
4-(5-bromo-2-methoxy-N-methylanilino)-3-oxobutanenitrile
CID 117038319

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 5-bromo-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline (CID 115257749) is 5-bromo-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 5-bromo-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 5-bromo-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline is COc1ccc(Br)cc1N(C)CC(F)(F)F.
What is the InChIKey of 5-bromo-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is ICCNWIIMQDIFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3NO/c1-15(6-10(12,13)14)8-5-7(11)3-4-9(8)16-2/h3-5H,6H2,1-2H3.
What are the key properties of 5-bromo-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline?
5-bromo-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 298.10 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 115257749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).