(3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanamine

C14H13Br2FN2 — CID 106881964

IUPAC(3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2ncc(Br)cc2Br)c(F)c1
InChIInChI=1S/C14H13Br2FN2/c1-7-3-8(2)12(11(17)4-7)13(18)14-10(16)5-9(15)6-19-14/h3-6,13H,18H2,1-2H3
InChIKeyJBXIAUNIFNFBBD-UHFFFAOYSA-N
MW388.08 g/mol
LogP4.41
Rot. Bonds2

About (3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanamine

(3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanamine (PubChem CID 106881964) has the molecular formula C14H13Br2FN2 and a molecular weight of 388.08 g/mol. Its IUPAC name is (3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
PubChem CID106881964
Molecular FormulaC14H13Br2FN2
Molecular Weight388.08 g/mol
Exact Mass385.94
IUPAC Name(3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2ncc(Br)cc2Br)c(F)c1
InChIInChI=1S/C14H13Br2FN2/c1-7-3-8(2)12(11(17)4-7)13(18)14-10(16)5-9(15)6-19-14/h3-6,13H,18H2,1-2H3
InChIKeyJBXIAUNIFNFBBD-UHFFFAOYSA-N
XLogP4.41
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.08
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106880546
(3,5-dibromo-2-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102755136
(2-fluoro-4,6-dimethylphenyl)-pyrimidin-5-ylmethanamine
CID 106883516
(3,5-dibromo-2-pyridinyl)-(3-fluorophenyl)methanamine
CID 113398572
1-(5-bromo-2-pyridinyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
CID 106881958
2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883395
(2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methanamine
CID 106883927
1-(4-bromo-2,6-difluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115829272
(2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 106881261
(2,6-difluoro-4-methoxyphenyl)-(2,4,6-trimethylphenyl)methanamine
CID 60965951
5-bromo-2-(difluoromethyl)-3-methylpyridine
CID 130095050
N-[(5-bromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106881960

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanamine?
The IUPAC name of (3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanamine (CID 106881964) is (3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanamine.
What is the SMILES notation for (3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanamine?
The canonical SMILES for (3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanamine is Cc1cc(C)c(C(N)c2ncc(Br)cc2Br)c(F)c1.
What is the InChIKey of (3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanamine?
The InChIKey is JBXIAUNIFNFBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2FN2/c1-7-3-8(2)12(11(17)4-7)13(18)14-10(16)5-9(15)6-19-14/h3-6,13H,18H2,1-2H3.
What are the key properties of (3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanamine?
(3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanamine has a molecular weight of 388.08 g/mol, XLogP of 4.41, 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-fluoro-4,6-dimethylphenyl)methanamine is sourced from PubChem (CID 106881964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).