1-(5-bromo-2-pyridinyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine

C15H16BrFN2 — CID 106881958

IUPAC1-(5-bromo-2-pyridinyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cn1)c1c(C)cc(C)cc1F
InChIInChI=1S/C15H16BrFN2/c1-9-6-10(2)14(12(17)7-9)15(18-3)13-5-4-11(16)8-19-13/h4-8,15,18H,1-3H3
InChIKeyHPRFEQMZXDYACG-UHFFFAOYSA-N
MW323.21 g/mol
LogP3.91
Rot. Bonds3

About 1-(5-bromo-2-pyridinyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine

1-(5-bromo-2-pyridinyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine (PubChem CID 106881958) has the molecular formula C15H16BrFN2 and a molecular weight of 323.21 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
PubChem CID106881958
Molecular FormulaC15H16BrFN2
Molecular Weight323.21 g/mol
Exact Mass322.05
IUPAC Name1-(5-bromo-2-pyridinyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cn1)c1c(C)cc(C)cc1F
InChIInChI=1S/C15H16BrFN2/c1-9-6-10(2)14(12(17)7-9)15(18-3)13-5-4-11(16)8-19-13/h4-8,15,18H,1-3H3
InChIKeyHPRFEQMZXDYACG-UHFFFAOYSA-N
XLogP3.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106881960
1-(5-bromo-2-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 115606081
1-(4-bromo-3-methylphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
CID 106883524
1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 106882068
1-(3,5-dimethylphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
CID 106883501
1-(3,4-dimethylphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
CID 106883897
N-[(2-fluoro-4,6-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 106883536
N-[(4-bromophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106881289
1-(5-bromo-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114730873
(5-chloro-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106881129
(3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881964
1-(3-bromo-2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 106942832

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine (CID 106881958) is 1-(5-bromo-2-pyridinyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine is CNC(c1ccc(Br)cn1)c1c(C)cc(C)cc1F.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine?
The InChIKey is HPRFEQMZXDYACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2/c1-9-6-10(2)14(12(17)7-9)15(18-3)13-5-4-11(16)8-19-13/h4-8,15,18H,1-3H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine?
1-(5-bromo-2-pyridinyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine has a molecular weight of 323.21 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 106881958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).