[2-(2-bromophenoxy)-5-(trifluoromethyl)phenyl]methanamine

C14H11BrF3NO — CID 43528602

IUPAC[2-(2-bromophenoxy)-5-(trifluoromethyl)phenyl]methanamine
SMILESNCc1cc(C(F)(F)F)ccc1Oc1ccccc1Br
InChIInChI=1S/C14H11BrF3NO/c15-11-3-1-2-4-13(11)20-12-6-5-10(14(16,17)18)7-9(12)8-19/h1-7H,8,19H2
InChIKeyPDIORFQHLKUVEX-UHFFFAOYSA-N
MW346.15 g/mol
LogP4.72
Rot. Bonds3

About [2-(2-bromophenoxy)-5-(trifluoromethyl)phenyl]methanamine

[2-(2-bromophenoxy)-5-(trifluoromethyl)phenyl]methanamine (PubChem CID 43528602) has the molecular formula C14H11BrF3NO and a molecular weight of 346.15 g/mol. Its IUPAC name is [2-(2-bromophenoxy)-5-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(2-bromophenoxy)-5-(trifluoromethyl)phenyl]methanamine
PubChem CID43528602
Molecular FormulaC14H11BrF3NO
Molecular Weight346.15 g/mol
Exact Mass345.00
IUPAC Name[2-(2-bromophenoxy)-5-(trifluoromethyl)phenyl]methanamine
SMILESNCc1cc(C(F)(F)F)ccc1Oc1ccccc1Br
InChIInChI=1S/C14H11BrF3NO/c15-11-3-1-2-4-13(11)20-12-6-5-10(14(16,17)18)7-9(12)8-19/h1-7H,8,19H2
InChIKeyPDIORFQHLKUVEX-UHFFFAOYSA-N
XLogP4.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.15
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-bromo-4-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine
CID 43528674
2-(2-bromophenoxy)-5-(trifluoromethyl)benzenecarbothioamide
CID 43331321
2-[2-bromo-4-(trifluoromethyl)phenoxy]aniline
CID 115511816
[5-bromo-2-[2-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 114889837
[2-(3-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine
CID 43331214
[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]methanamine
CID 43153637
2-[2-(2-bromophenoxy)-5-fluorophenyl]ethanamine
CID 63815572
[2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 19627404
[5-fluoro-2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 63673150
2-[2-(aminomethyl)-4-(trifluoromethyl)phenoxy]ethanol
CID 43153652
[2-butoxy-5-(trifluoromethyl)phenyl]methanamine
CID 43267438
3-bromo-2-[2-bromo-4-(trifluoromethyl)phenoxy]aniline
CID 115511844

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromophenoxy)-5-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [2-(2-bromophenoxy)-5-(trifluoromethyl)phenyl]methanamine (CID 43528602) is [2-(2-bromophenoxy)-5-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [2-(2-bromophenoxy)-5-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [2-(2-bromophenoxy)-5-(trifluoromethyl)phenyl]methanamine is NCc1cc(C(F)(F)F)ccc1Oc1ccccc1Br.
What is the InChIKey of [2-(2-bromophenoxy)-5-(trifluoromethyl)phenyl]methanamine?
The InChIKey is PDIORFQHLKUVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3NO/c15-11-3-1-2-4-13(11)20-12-6-5-10(14(16,17)18)7-9(12)8-19/h1-7H,8,19H2.
What are the key properties of [2-(2-bromophenoxy)-5-(trifluoromethyl)phenyl]methanamine?
[2-(2-bromophenoxy)-5-(trifluoromethyl)phenyl]methanamine has a molecular weight of 346.15 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromophenoxy)-5-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 43528602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).