(2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanamine

C14H10Br2F3N — CID 43104550

IUPAC(2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(C(F)(F)F)cc1)c1cc(Br)ccc1Br
InChIInChI=1S/C14H10Br2F3N/c15-10-5-6-12(16)11(7-10)13(20)8-1-3-9(4-2-8)14(17,18)19/h1-7,13H,20H2
InChIKeyPMTBFSILKWZEML-UHFFFAOYSA-N
MW409.04 g/mol
LogP5.28
Rot. Bonds2

About (2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanamine

(2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 43104550) has the molecular formula C14H10Br2F3N and a molecular weight of 409.04 g/mol. Its IUPAC name is (2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID43104550
Molecular FormulaC14H10Br2F3N
Molecular Weight409.04 g/mol
Exact Mass406.91
IUPAC Name(2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(C(F)(F)F)cc1)c1cc(Br)ccc1Br
InChIInChI=1S/C14H10Br2F3N/c15-10-5-6-12(16)11(7-10)13(20)8-1-3-9(4-2-8)14(17,18)19/h1-7,13H,20H2
InChIKeyPMTBFSILKWZEML-UHFFFAOYSA-N
XLogP5.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.04
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 63426128
(S)-(2,5-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171244775
(S)-[2-bromo-5-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
CID 171242075
(6-bromonaphthalen-2-yl)-(2,5-dibromophenyl)methanamine
CID 115353747
(2,5-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 114368817
(2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanamine
CID 81110803
1-[2-bromo-5-(trifluoromethyl)phenyl]ethanamine
CID 43825554
(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 28501880
[2-bromo-5-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanamine
CID 45282000
(2,5-dibromophenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283090
(2-bromo-5-methylphenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 115850757
(2,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43097516

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanamine (CID 43104550) is (2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanamine is NC(c1ccc(C(F)(F)F)cc1)c1cc(Br)ccc1Br.
What is the InChIKey of (2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is PMTBFSILKWZEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2F3N/c15-10-5-6-12(16)11(7-10)13(20)8-1-3-9(4-2-8)14(17,18)19/h1-7,13H,20H2.
What are the key properties of (2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanamine?
(2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 409.04 g/mol, XLogP of 5.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 43104550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).