(3,5-dibromo-2-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine

C14H11Br2F3N2 — CID 102755136

IUPAC(3,5-dibromo-2-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(C(F)(F)F)ccc1C(N)c1ncc(Br)cc1Br
InChIInChI=1S/C14H11Br2F3N2/c1-7-4-8(14(17,18)19)2-3-10(7)12(20)13-11(16)5-9(15)6-21-13/h2-6,12H,20H2,1H3
InChIKeyIEUJFWHYGCPRKT-UHFFFAOYSA-N
MW424.06 g/mol
LogP4.98
Rot. Bonds2

About (3,5-dibromo-2-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine

(3,5-dibromo-2-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine (PubChem CID 102755136) has the molecular formula C14H11Br2F3N2 and a molecular weight of 424.06 g/mol. Its IUPAC name is (3,5-dibromo-2-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(3,5-dibromo-2-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
PubChem CID102755136
Molecular FormulaC14H11Br2F3N2
Molecular Weight424.06 g/mol
Exact Mass421.92
IUPAC Name(3,5-dibromo-2-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(C(F)(F)F)ccc1C(N)c1ncc(Br)cc1Br
InChIInChI=1S/C14H11Br2F3N2/c1-7-4-8(14(17,18)19)2-3-10(7)12(20)13-11(16)5-9(15)6-21-13/h2-6,12H,20H2,1H3
InChIKeyIEUJFWHYGCPRKT-UHFFFAOYSA-N
XLogP4.98
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.06
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,5-dibromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758787
(3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881964
(1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 129373327
furan-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753944
(2-bromo-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758784
(2-methylpyrazol-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758165
2,2-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 103517278
(3-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758356
(5-fluoro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753884
(1S)-1-[2-bromo-4-(trifluoromethyl)phenyl]ethanamine
CID 131172048
(3-bromo-2-pyridinyl)-(4-fluoro-2-methylphenyl)methanamine
CID 113398464
(3,5-dibromo-2-pyridinyl)-(4-methyl-3-pyridinyl)methanol
CID 113393932

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromo-2-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (3,5-dibromo-2-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine (CID 102755136) is (3,5-dibromo-2-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (3,5-dibromo-2-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (3,5-dibromo-2-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine is Cc1cc(C(F)(F)F)ccc1C(N)c1ncc(Br)cc1Br.
What is the InChIKey of (3,5-dibromo-2-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is IEUJFWHYGCPRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2F3N2/c1-7-4-8(14(17,18)19)2-3-10(7)12(20)13-11(16)5-9(15)6-21-13/h2-6,12H,20H2,1H3.
What are the key properties of (3,5-dibromo-2-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
(3,5-dibromo-2-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 424.06 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromo-2-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 102755136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).