[5-bromo-2-[2-(trifluoromethyl)phenoxy]phenyl]methanamine

C14H11BrF3NO — CID 114889837

IUPAC[5-bromo-2-[2-(trifluoromethyl)phenoxy]phenyl]methanamine
SMILESNCc1cc(Br)ccc1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C14H11BrF3NO/c15-10-5-6-12(9(7-10)8-19)20-13-4-2-1-3-11(13)14(16,17)18/h1-7H,8,19H2
InChIKeyGUNAEBHQLXJSDT-UHFFFAOYSA-N
MW346.15 g/mol
LogP4.72
Rot. Bonds3

About [5-bromo-2-[2-(trifluoromethyl)phenoxy]phenyl]methanamine

[5-bromo-2-[2-(trifluoromethyl)phenoxy]phenyl]methanamine (PubChem CID 114889837) has the molecular formula C14H11BrF3NO and a molecular weight of 346.15 g/mol. Its IUPAC name is [5-bromo-2-[2-(trifluoromethyl)phenoxy]phenyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-[2-(trifluoromethyl)phenoxy]phenyl]methanamine
PubChem CID114889837
Molecular FormulaC14H11BrF3NO
Molecular Weight346.15 g/mol
Exact Mass345.00
IUPAC Name[5-bromo-2-[2-(trifluoromethyl)phenoxy]phenyl]methanamine
SMILESNCc1cc(Br)ccc1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C14H11BrF3NO/c15-10-5-6-12(9(7-10)8-19)20-13-4-2-1-3-11(13)14(16,17)18/h1-7H,8,19H2
InChIKeyGUNAEBHQLXJSDT-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

(5-bromo-2-naphthalen-1-yloxyphenyl)methanamine
CID 114889861
2-[2-[4-bromo-2-(trifluoromethyl)phenoxy]phenyl]ethanol
CID 107713703
[2-(2-bromophenoxy)-5-(trifluoromethyl)phenyl]methanamine
CID 43528602
5-bromo-2-[2-(trifluoromethyl)phenoxy]benzoic acid
CID 114896080
[5-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]methanamine
CID 114889959
[5-bromo-2-(4-bromo-2-methylphenoxy)phenyl]methanamine
CID 114889929
[5-bromo-2-(2-butan-2-ylphenoxy)phenyl]methanamine
CID 114889865
[5-bromo-2-(3-bromophenoxy)phenyl]methanamine
CID 114889905
[2-[2-(aminomethyl)-5-bromophenoxy]phenyl]methanol
CID 63654318
N-methyl-1-[2-[2-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 43282524
[2-(4-bromo-2-nitrophenoxy)phenyl]methanamine
CID 65431306
[4-[5-bromo-2-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 107289528

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[2-(trifluoromethyl)phenoxy]phenyl]methanamine?
The IUPAC name of [5-bromo-2-[2-(trifluoromethyl)phenoxy]phenyl]methanamine (CID 114889837) is [5-bromo-2-[2-(trifluoromethyl)phenoxy]phenyl]methanamine.
What is the SMILES notation for [5-bromo-2-[2-(trifluoromethyl)phenoxy]phenyl]methanamine?
The canonical SMILES for [5-bromo-2-[2-(trifluoromethyl)phenoxy]phenyl]methanamine is NCc1cc(Br)ccc1Oc1ccccc1C(F)(F)F.
What is the InChIKey of [5-bromo-2-[2-(trifluoromethyl)phenoxy]phenyl]methanamine?
The InChIKey is GUNAEBHQLXJSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3NO/c15-10-5-6-12(9(7-10)8-19)20-13-4-2-1-3-11(13)14(16,17)18/h1-7H,8,19H2.
What are the key properties of [5-bromo-2-[2-(trifluoromethyl)phenoxy]phenyl]methanamine?
[5-bromo-2-[2-(trifluoromethyl)phenoxy]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 [5-bromo-2-[2-(trifluoromethyl)phenoxy]phenyl]methanamine is sourced from PubChem (CID 114889837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).