3-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]-4-methylpyridin-2-amine

C15H18BrN3O — CID 106950916

IUPAC3-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]-4-methylpyridin-2-amine
SMILESCNC(c1ccc(OC)c(Br)c1)c1c(C)ccnc1N
InChIInChI=1S/C15H18BrN3O/c1-9-6-7-19-15(17)13(9)14(18-2)10-4-5-12(20-3)11(16)8-10/h4-8,14,18H,1-3H3,(H2,17,19)
InChIKeyXTSMYSYGHHTBFB-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.05
Rot. Bonds4

About 3-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]-4-methylpyridin-2-amine

3-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]-4-methylpyridin-2-amine (PubChem CID 106950916) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 3-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]-4-methylpyridin-2-amine
PubChem CID106950916
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name3-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]-4-methylpyridin-2-amine
SMILESCNC(c1ccc(OC)c(Br)c1)c1c(C)ccnc1N
InChIInChI=1S/C15H18BrN3O/c1-9-6-7-19-15(17)13(9)14(18-2)10-4-5-12(20-3)11(16)8-10/h4-8,14,18H,1-3H3,(H2,17,19)
InChIKeyXTSMYSYGHHTBFB-UHFFFAOYSA-N
XLogP3.05
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 43479934
1-(3-bromo-4-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 43479980
1-(3-bromo-4-methoxyphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 115858716
1-(5-bromofuran-2-yl)-1-(3-bromo-4-methoxyphenyl)-N-methylmethanamine
CID 43479896
[(3-bromo-4-methoxyphenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105312956
1-(3-bromo-4-methoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 43479966
1-(3-bromo-4-methylphenyl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 81472448
1-(3-bromo-4-methoxyphenyl)ethylhydrazine
CID 82478801
N-[(3-bromo-4-methoxyphenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487806
1-(3-bromo-4-methoxyphenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106786008
1-(3-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
CID 61034062
1-(5-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)-N-methylmethanamine
CID 43479930

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]-4-methylpyridin-2-amine?
The IUPAC name of 3-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]-4-methylpyridin-2-amine (CID 106950916) is 3-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 3-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]-4-methylpyridin-2-amine?
The canonical SMILES for 3-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]-4-methylpyridin-2-amine is CNC(c1ccc(OC)c(Br)c1)c1c(C)ccnc1N.
What is the InChIKey of 3-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]-4-methylpyridin-2-amine?
The InChIKey is XTSMYSYGHHTBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-9-6-7-19-15(17)13(9)14(18-2)10-4-5-12(20-3)11(16)8-10/h4-8,14,18H,1-3H3,(H2,17,19).
What are the key properties of 3-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]-4-methylpyridin-2-amine?
3-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]-4-methylpyridin-2-amine has a molecular weight of 336.23 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 106950916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).