1-(3-bromo-2-pyridinyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine

C14H14BrFN2 — CID 113398514

IUPAC1-(3-bromo-2-pyridinyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)ccc1F)c1ncccc1Br
InChIInChI=1S/C14H14BrFN2/c1-9-5-6-12(16)10(8-9)13(17-2)14-11(15)4-3-7-18-14/h3-8,13,17H,1-2H3
InChIKeyQTQCHOHBGSOBLA-UHFFFAOYSA-N
MW309.18 g/mol
LogP3.60
Rot. Bonds3

About 1-(3-bromo-2-pyridinyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine

1-(3-bromo-2-pyridinyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine (PubChem CID 113398514) has the molecular formula C14H14BrFN2 and a molecular weight of 309.18 g/mol. Its IUPAC name is 1-(3-bromo-2-pyridinyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-pyridinyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
PubChem CID113398514
Molecular FormulaC14H14BrFN2
Molecular Weight309.18 g/mol
Exact Mass308.03
IUPAC Name1-(3-bromo-2-pyridinyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)ccc1F)c1ncccc1Br
InChIInChI=1S/C14H14BrFN2/c1-9-5-6-12(16)10(8-9)13(17-2)14-11(15)4-3-7-18-14/h3-8,13,17H,1-2H3
InChIKeyQTQCHOHBGSOBLA-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

[(3-bromo-2-pyridinyl)-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 105267988
1-(2-bromo-5-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 115852683
N-[(3-chloro-2-pyridinyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 103444609
1-(4-bromo-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 114906492
[(3-bromo-2-pyridinyl)-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 107130883
1-(2-chloro-3-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 115852601
N-[(3-chloro-2-pyridinyl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 103444897
1-(4-chlorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 55134651
[(3-bromo-2-pyridinyl)-(3-methylphenyl)methyl]hydrazine
CID 105268060
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 115858560
[(3-bromo-2-pyridinyl)-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105268031
1-(2,6-difluoro-3-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 115852895

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-pyridinyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-2-pyridinyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine (CID 113398514) is 1-(3-bromo-2-pyridinyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-2-pyridinyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-2-pyridinyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine is CNC(c1cc(C)ccc1F)c1ncccc1Br.
What is the InChIKey of 1-(3-bromo-2-pyridinyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine?
The InChIKey is QTQCHOHBGSOBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2/c1-9-5-6-12(16)10(8-9)13(17-2)14-11(15)4-3-7-18-14/h3-8,13,17H,1-2H3.
What are the key properties of 1-(3-bromo-2-pyridinyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine?
1-(3-bromo-2-pyridinyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine 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-(3-bromo-2-pyridinyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 113398514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).