3-bromo-2-(methoxymethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline

C15H17BrN2O2 — CID 63987060

IUPAC3-bromo-2-(methoxymethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline
SMILESCOCc1c(Br)cccc1NCc1cccc(OC)n1
InChIInChI=1S/C15H17BrN2O2/c1-19-10-12-13(16)6-4-7-14(12)17-9-11-5-3-8-15(18-11)20-2/h3-8,17H,9-10H2,1-2H3
InChIKeyAAPVCOOJNDBUBL-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.61
Rot. Bonds6

About 3-bromo-2-(methoxymethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline

3-bromo-2-(methoxymethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline (PubChem CID 63987060) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 3-bromo-2-(methoxymethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name3-bromo-2-(methoxymethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline
PubChem CID63987060
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name3-bromo-2-(methoxymethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline
SMILESCOCc1c(Br)cccc1NCc1cccc(OC)n1
InChIInChI=1S/C15H17BrN2O2/c1-19-10-12-13(16)6-4-7-14(12)17-9-11-5-3-8-15(18-11)20-2/h3-8,17H,9-10H2,1-2H3
InChIKeyAAPVCOOJNDBUBL-UHFFFAOYSA-N
XLogP3.61
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-3-chloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 103478301
4-bromo-2,5-difluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 107610030
2-bromo-5-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 107633456
3-bromo-N-[(4-ethylphenyl)methyl]-2-(methoxymethyl)aniline
CID 63452483
3-bromo-2-(methoxymethyl)-N-[(3-methoxyphenyl)methyl]aniline
CID 61166179
2-ethoxy-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63991749
3-bromo-2-(methoxymethyl)-N-[(2,3,6-trichlorophenyl)methyl]aniline
CID 78943842
3-bromo-N-(furan-2-ylmethyl)-2-(methoxymethyl)aniline
CID 61167539
3-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-(methoxymethyl)aniline
CID 104796784
1-[2-[(6-methoxy-2-pyridinyl)methylamino]phenyl]ethanol
CID 103347703
3-bromo-2-(methoxymethyl)-N-[(5-methylfuran-2-yl)methyl]aniline
CID 61167541
N-(1-benzofuran-2-ylmethyl)-3-bromo-2-(methoxymethyl)aniline
CID 61166186

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(methoxymethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline?
The IUPAC name of 3-bromo-2-(methoxymethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline (CID 63987060) is 3-bromo-2-(methoxymethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 3-bromo-2-(methoxymethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline?
The canonical SMILES for 3-bromo-2-(methoxymethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline is COCc1c(Br)cccc1NCc1cccc(OC)n1.
What is the InChIKey of 3-bromo-2-(methoxymethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline?
The InChIKey is AAPVCOOJNDBUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-19-10-12-13(16)6-4-7-14(12)17-9-11-5-3-8-15(18-11)20-2/h3-8,17H,9-10H2,1-2H3.
What are the key properties of 3-bromo-2-(methoxymethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline?
3-bromo-2-(methoxymethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline has a molecular weight of 337.22 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(methoxymethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 63987060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).