2-bromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline

C16H19BrN2O — CID 82756625

IUPAC2-bromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline
SMILESCOc1c(C)cnc(CNc2cc(C)ccc2Br)c1C
InChIInChI=1S/C16H19BrN2O/c1-10-5-6-13(17)14(7-10)19-9-15-12(3)16(20-4)11(2)8-18-15/h5-8,19H,9H2,1-4H3
InChIKeyZQSYWXRDVSYBBX-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.39
Rot. Bonds4

About 2-bromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline

2-bromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline (PubChem CID 82756625) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 2-bromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline.

Molecular Properties

Compound Name2-bromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline
PubChem CID82756625
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name2-bromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline
SMILESCOc1c(C)cnc(CNc2cc(C)ccc2Br)c1C
InChIInChI=1S/C16H19BrN2O/c1-10-5-6-13(17)14(7-10)19-9-15-12(3)16(20-4)11(2)8-18-15/h5-8,19H,9H2,1-4H3
InChIKeyZQSYWXRDVSYBBX-UHFFFAOYSA-N
XLogP4.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline
CID 107634838
2,4,6-tribromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline
CID 28992033
4-fluoro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylaniline
CID 28584179
1-(2-bromo-5-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
CID 115788146
2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-methylaniline
CID 82761585
3-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline
CID 28584402
N-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]phenyl]acetamide
CID 43825822
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylsulfanylaniline
CID 28568369
2-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline
CID 82761087
4-(2-chloroethyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline
CID 65024346
2-bromo-5-methyl-N-[(4-methylphenyl)methyl]aniline
CID 82760988
2-bromo-N-[(2-methoxyphenyl)methyl]-5-methylaniline
CID 82761234

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline?
The IUPAC name of 2-bromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline (CID 82756625) is 2-bromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline.
What is the SMILES notation for 2-bromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline?
The canonical SMILES for 2-bromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline is COc1c(C)cnc(CNc2cc(C)ccc2Br)c1C.
What is the InChIKey of 2-bromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline?
The InChIKey is ZQSYWXRDVSYBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-10-5-6-13(17)14(7-10)19-9-15-12(3)16(20-4)11(2)8-18-15/h5-8,19H,9H2,1-4H3.
What are the key properties of 2-bromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline?
2-bromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline has a molecular weight of 335.25 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline is sourced from PubChem (CID 82756625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).