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

C15H17BrN2O — CID 105025878

IUPAC1-(2-bromo-5-methylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
SMILESCNC(c1cncc(OC)c1)c1cc(C)ccc1Br
InChIInChI=1S/C15H17BrN2O/c1-10-4-5-14(16)13(6-10)15(17-2)11-7-12(19-3)9-18-8-11/h4-9,15,17H,1-3H3
InChIKeyPBAFRPVJSBIWSI-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.47
Rot. Bonds4

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

1-(2-bromo-5-methylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine (PubChem CID 105025878) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
PubChem CID105025878
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name1-(2-bromo-5-methylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
SMILESCNC(c1cncc(OC)c1)c1cc(C)ccc1Br
InChIInChI=1S/C15H17BrN2O/c1-10-4-5-14(16)13(6-10)15(17-2)11-7-12(19-3)9-18-8-11/h4-9,15,17H,1-3H3
InChIKeyPBAFRPVJSBIWSI-UHFFFAOYSA-N
XLogP3.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 105092588
[(2-bromo-5-methylphenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
CID 105330014
N-[(2-bromo-5-methylphenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine
CID 105026416
1-(2-bromo-5-methylphenyl)-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 83043843
1-(2-methoxy-5-methylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105022947
1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 81110285
1-(2,3-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105025757
1-(3-bromothiophen-2-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105025777
1-(3-methoxy-4-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105065961
1-(2,5-dimethoxyphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105026152
[(2-bromophenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105208806
1-(5-fluoro-3-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105175369

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine (CID 105025878) is 1-(2-bromo-5-methylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine is CNC(c1cncc(OC)c1)c1cc(C)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine?
The InChIKey is PBAFRPVJSBIWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-10-4-5-14(16)13(6-10)15(17-2)11-7-12(19-3)9-18-8-11/h4-9,15,17H,1-3H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine?
1-(2-bromo-5-methylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine has a molecular weight of 321.22 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 105025878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).