1-(5-bromo-2-pyridinyl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine

C15H17BrN2O2 — CID 115606086

IUPAC1-(5-bromo-2-pyridinyl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cn1)c1ccc(OC)cc1OC
InChIInChI=1S/C15H17BrN2O2/c1-17-15(13-7-4-10(16)9-18-13)12-6-5-11(19-2)8-14(12)20-3/h4-9,15,17H,1-3H3
InChIKeyYAAFFVYGUUZHPR-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.17
Rot. Bonds5

About 1-(5-bromo-2-pyridinyl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine

1-(5-bromo-2-pyridinyl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine (PubChem CID 115606086) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
PubChem CID115606086
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name1-(5-bromo-2-pyridinyl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cn1)c1ccc(OC)cc1OC
InChIInChI=1S/C15H17BrN2O2/c1-17-15(13-7-4-10(16)9-18-13)12-6-5-11(19-2)8-14(12)20-3/h4-9,15,17H,1-3H3
InChIKeyYAAFFVYGUUZHPR-UHFFFAOYSA-N
XLogP3.17
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxyphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 62801136
1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxyphenyl]-N-methylethanamine
CID 104796450
1-(5-bromo-2-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 115606081
1-(2,4-dimethoxyphenyl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
CID 63555606
1-(5-bromo-2-pyridinyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine
CID 105178350
1-(2,4-dimethoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 105031778
1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 104660704
[(5-bromo-2-pyridinyl)-(3-methoxyphenyl)methyl]hydrazine
CID 105267769
1-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 43482669
[(5-bromo-2-pyridinyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine
CID 105267904
1-(5-bromo-4-chlorothiophen-2-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 80531246
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine (CID 115606086) is 1-(5-bromo-2-pyridinyl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine is CNC(c1ccc(Br)cn1)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine?
The InChIKey is YAAFFVYGUUZHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-17-15(13-7-4-10(16)9-18-13)12-6-5-11(19-2)8-14(12)20-3/h4-9,15,17H,1-3H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine?
1-(5-bromo-2-pyridinyl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine has a molecular weight of 337.22 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 115606086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).