2,4,6-tribromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline

C15H15Br3N2O — CID 28992033

IUPAC2,4,6-tribromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline
SMILESCOc1c(C)cnc(CNc2c(Br)cc(Br)cc2Br)c1C
InChIInChI=1S/C15H15Br3N2O/c1-8-6-19-13(9(2)15(8)21-3)7-20-14-11(17)4-10(16)5-12(14)18/h4-6,20H,7H2,1-3H3
InChIKeyJZSGVEYLXNZERR-UHFFFAOYSA-N
MW479.01 g/mol
LogP5.61
Rot. Bonds4

About 2,4,6-tribromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline

2,4,6-tribromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline (PubChem CID 28992033) has the molecular formula C15H15Br3N2O and a molecular weight of 479.01 g/mol. Its IUPAC name is 2,4,6-tribromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name2,4,6-tribromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline
PubChem CID28992033
Molecular FormulaC15H15Br3N2O
Molecular Weight479.01 g/mol
Exact Mass475.87
IUPAC Name2,4,6-tribromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline
SMILESCOc1c(C)cnc(CNc2c(Br)cc(Br)cc2Br)c1C
InChIInChI=1S/C15H15Br3N2O/c1-8-6-19-13(9(2)15(8)21-3)7-20-14-11(17)4-10(16)5-12(14)18/h4-6,20H,7H2,1-3H3
InChIKeyJZSGVEYLXNZERR-UHFFFAOYSA-N
XLogP5.61
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.01
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline
CID 82756625
4-fluoro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylaniline
CID 28584179
2,4,6-tribromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline
CID 63425377
2-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline
CID 107634838
(1R)-1-(3-bromophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine
CID 81381748
3-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline
CID 28584402
2,4,6-tribromo-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650051
3-chloro-4-fluoro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline
CID 83108940
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylsulfanylaniline
CID 28568369
N-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]phenyl]acetamide
CID 43825822
4-(2-chloroethyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline
CID 65024346
6-bromo-5-ethenyl-4-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 143021220

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline?
The IUPAC name of 2,4,6-tribromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline (CID 28992033) is 2,4,6-tribromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 2,4,6-tribromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline?
The canonical SMILES for 2,4,6-tribromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline is COc1c(C)cnc(CNc2c(Br)cc(Br)cc2Br)c1C.
What is the InChIKey of 2,4,6-tribromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline?
The InChIKey is JZSGVEYLXNZERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br3N2O/c1-8-6-19-13(9(2)15(8)21-3)7-20-14-11(17)4-10(16)5-12(14)18/h4-6,20H,7H2,1-3H3.
What are the key properties of 2,4,6-tribromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline?
2,4,6-tribromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline has a molecular weight of 479.01 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 28992033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).