5-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpyridin-2-amine

C16H19BrN2O2 — CID 133373882

IUPAC5-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpyridin-2-amine
SMILESCCOc1ccc(CNc2ncc(Br)cc2C)cc1OC
InChIInChI=1S/C16H19BrN2O2/c1-4-21-14-6-5-12(8-15(14)20-3)9-18-16-11(2)7-13(17)10-19-16/h5-8,10H,4,9H2,1-3H3,(H,18,19)
InChIKeyDYCACGAVEGEWEQ-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.17
Rot. Bonds6

About 5-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpyridin-2-amine

5-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpyridin-2-amine (PubChem CID 133373882) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 5-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpyridin-2-amine
PubChem CID133373882
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name5-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpyridin-2-amine
SMILESCCOc1ccc(CNc2ncc(Br)cc2C)cc1OC
InChIInChI=1S/C16H19BrN2O2/c1-4-21-14-6-5-12(8-15(14)20-3)9-18-16-11(2)7-13(17)10-19-16/h5-8,10H,4,9H2,1-3H3,(H,18,19)
InChIKeyDYCACGAVEGEWEQ-UHFFFAOYSA-N
XLogP4.17
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-nitropyridin-2-amine
CID 142291935
5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyridin-2-amine
CID 79718796
6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine
CID 87021045
1-(4-bromophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine
CID 60736257
6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpyridin-3-amine
CID 104600023
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylaniline
CID 28609770
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3,6-dimethylpyrazin-2-amine
CID 133471195
5-bromo-2-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]aniline
CID 63478094
ethyl 3-[(4-ethoxy-3-methoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate
CID 39886332
[3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol
CID 79718432
5-bromo-N-(4-ethoxy-3-methylphenyl)-3-methylpyridin-2-amine
CID 115148422
5-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylpyridin-2-amine
CID 115148643

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpyridin-2-amine (CID 133373882) is 5-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpyridin-2-amine is CCOc1ccc(CNc2ncc(Br)cc2C)cc1OC.
What is the InChIKey of 5-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpyridin-2-amine?
The InChIKey is DYCACGAVEGEWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-4-21-14-6-5-12(8-15(14)20-3)9-18-16-11(2)7-13(17)10-19-16/h5-8,10H,4,9H2,1-3H3,(H,18,19).
What are the key properties of 5-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpyridin-2-amine?
5-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpyridin-2-amine has a molecular weight of 351.24 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpyridin-2-amine is sourced from PubChem (CID 133373882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).