5-bromo-N-[(2,4,6-trimethoxyphenyl)methyl]pyridin-2-amine

C15H17BrN2O3 — CID 86054296

IUPAC5-bromo-N-[(2,4,6-trimethoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1cc(OC)c(CNc2ccc(Br)cn2)c(OC)c1
InChIInChI=1S/C15H17BrN2O3/c1-19-11-6-13(20-2)12(14(7-11)21-3)9-18-15-5-4-10(16)8-17-15/h4-8H,9H2,1-3H3,(H,17,18)
InChIKeyCQYSLOUKIYRCDF-UHFFFAOYSA-N
MW353.22 g/mol
LogP3.48
Rot. Bonds6

About 5-bromo-N-[(2,4,6-trimethoxyphenyl)methyl]pyridin-2-amine

5-bromo-N-[(2,4,6-trimethoxyphenyl)methyl]pyridin-2-amine (PubChem CID 86054296) has the molecular formula C15H17BrN2O3 and a molecular weight of 353.22 g/mol. Its IUPAC name is 5-bromo-N-[(2,4,6-trimethoxyphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(2,4,6-trimethoxyphenyl)methyl]pyridin-2-amine
PubChem CID86054296
Molecular FormulaC15H17BrN2O3
Molecular Weight353.22 g/mol
Exact Mass352.04
IUPAC Name5-bromo-N-[(2,4,6-trimethoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1cc(OC)c(CNc2ccc(Br)cn2)c(OC)c1
InChIInChI=1S/C15H17BrN2O3/c1-19-11-6-13(20-2)12(14(7-11)21-3)9-18-15-5-4-10(16)8-17-15/h4-8H,9H2,1-3H3,(H,17,18)
InChIKeyCQYSLOUKIYRCDF-UHFFFAOYSA-N
XLogP3.48
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-2-amine
CID 115146650
5-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine
CID 75372885
N-[(4-bromophenyl)methyl]-5-methoxypyridin-2-amine
CID 103802163
N-(5-bromo-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 19683207
5-bromo-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyridin-2-amine
CID 115146824
5-bromo-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 133445612
2-bromo-N-[(2,4,6-trimethoxyphenyl)methyl]aniline
CID 43344247
5-bromo-N-[2-(4-methoxyphenoxy)propyl]pyridin-2-amine
CID 133323967
2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrimidin-4-amine
CID 133297559
5-bromo-N-[(2-methoxy-3,5-dimethylphenyl)methyl]pyridin-2-amine
CID 115146686
5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]pyridin-2-amine
CID 115146811
5-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine
CID 58259421

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2,4,6-trimethoxyphenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[(2,4,6-trimethoxyphenyl)methyl]pyridin-2-amine (CID 86054296) is 5-bromo-N-[(2,4,6-trimethoxyphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(2,4,6-trimethoxyphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(2,4,6-trimethoxyphenyl)methyl]pyridin-2-amine is COc1cc(OC)c(CNc2ccc(Br)cn2)c(OC)c1.
What is the InChIKey of 5-bromo-N-[(2,4,6-trimethoxyphenyl)methyl]pyridin-2-amine?
The InChIKey is CQYSLOUKIYRCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O3/c1-19-11-6-13(20-2)12(14(7-11)21-3)9-18-15-5-4-10(16)8-17-15/h4-8H,9H2,1-3H3,(H,17,18).
What are the key properties of 5-bromo-N-[(2,4,6-trimethoxyphenyl)methyl]pyridin-2-amine?
5-bromo-N-[(2,4,6-trimethoxyphenyl)methyl]pyridin-2-amine has a molecular weight of 353.22 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2,4,6-trimethoxyphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 86054296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).