5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)aniline

C8H8BrF3N2O — CID 131397954

IUPAC5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)aniline
SMILESNCc1cc(N)c(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C8H8BrF3N2O/c9-5-1-4(3-13)2-6(14)7(5)15-8(10,11)12/h1-2H,3,13-14H2
InChIKeyILSUZLMXRIWBLI-UHFFFAOYSA-N
MW285.06 g/mol
LogP2.39
Rot. Bonds2

About 5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)aniline

5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)aniline (PubChem CID 131397954) has the molecular formula C8H8BrF3N2O and a molecular weight of 285.06 g/mol. Its IUPAC name is 5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)aniline
PubChem CID131397954
Molecular FormulaC8H8BrF3N2O
Molecular Weight285.06 g/mol
Exact Mass283.98
IUPAC Name5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)aniline
SMILESNCc1cc(N)c(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C8H8BrF3N2O/c9-5-1-4(3-13)2-6(14)7(5)15-8(10,11)12/h1-2H,3,13-14H2
InChIKeyILSUZLMXRIWBLI-UHFFFAOYSA-N
XLogP2.39
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.06
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-bromo-4-(trifluoromethoxy)benzamide
CID 131327228
[4-bromo-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118825745
1,3-dibromo-5-fluoro-2-(trifluoromethoxy)benzene
CID 118813366
4-amino-6-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 118834977
(3,5-dibromo-4-propan-2-yloxyphenyl)methanamine
CID 107741402
6-(aminomethyl)-4-bromo-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118814478
1-[4-(aminomethyl)-2,6-dibromophenoxy]-2-methylpropan-2-ol
CID 107741378
2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)aniline
CID 131397948
4-bromo-2-(bromomethyl)-5-(trifluoromethoxy)aniline
CID 119014137
[2-iodo-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 130092413
1,5-dibromo-2,3-difluoro-4-(trifluoromethoxy)benzene
CID 118807728
4-bromo-5-(trifluoromethoxy)benzene-1,2-diamine
CID 26985379

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)aniline?
The IUPAC name of 5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)aniline (CID 131397954) is 5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)aniline.
What is the SMILES notation for 5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)aniline?
The canonical SMILES for 5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)aniline is NCc1cc(N)c(OC(F)(F)F)c(Br)c1.
What is the InChIKey of 5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)aniline?
The InChIKey is ILSUZLMXRIWBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF3N2O/c9-5-1-4(3-13)2-6(14)7(5)15-8(10,11)12/h1-2H,3,13-14H2.
What are the key properties of 5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)aniline?
5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)aniline has a molecular weight of 285.06 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)aniline is sourced from PubChem (CID 131397954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).