1-(2-bromo-6-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine

C14H14BrFN2 — CID 114887123

IUPAC1-(2-bromo-6-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
SMILESCNC(c1cnccc1C)c1c(F)cccc1Br
InChIInChI=1S/C14H14BrFN2/c1-9-6-7-18-8-10(9)14(17-2)13-11(15)4-3-5-12(13)16/h3-8,14,17H,1-2H3
InChIKeyCUEZRBJJKOXVRN-UHFFFAOYSA-N
MW309.18 g/mol
LogP3.60
Rot. Bonds3

About 1-(2-bromo-6-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine

1-(2-bromo-6-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine (PubChem CID 114887123) has the molecular formula C14H14BrFN2 and a molecular weight of 309.18 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
PubChem CID114887123
Molecular FormulaC14H14BrFN2
Molecular Weight309.18 g/mol
Exact Mass308.03
IUPAC Name1-(2-bromo-6-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
SMILESCNC(c1cnccc1C)c1c(F)cccc1Br
InChIInChI=1S/C14H14BrFN2/c1-9-6-7-18-8-10(9)14(17-2)13-11(15)4-3-5-12(13)16/h3-8,14,17H,1-2H3
InChIKeyCUEZRBJJKOXVRN-UHFFFAOYSA-N
XLogP3.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2-bromo-6-fluorophenyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105280440
N-[(2-bromo-6-fluorophenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114887468
1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 106942954
1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 106882068
3-[(2-bromo-6-fluorophenyl)-(ethylamino)methyl]pyridin-4-amine
CID 114887250
1-(2-bromo-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 114887024
1-(2-bromo-6-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114886903
1-(2-bromo-6-fluorophenyl)-1-(4,5-dimethylfuran-2-yl)-N-methylmethanamine
CID 114248992
1-(2-fluoro-4-methylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 105006295
1-(3-bromo-5-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 66426235
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 114330552
[(2,3-difluorophenyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105279808

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine (CID 114887123) is 1-(2-bromo-6-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine is CNC(c1cnccc1C)c1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine?
The InChIKey is CUEZRBJJKOXVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2/c1-9-6-7-18-8-10(9)14(17-2)13-11(15)4-3-5-12(13)16/h3-8,14,17H,1-2H3.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine?
1-(2-bromo-6-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine has a molecular weight of 309.18 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 114887123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).