5-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine

C15H17BrN2O3 — CID 75372885

IUPAC5-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(CNc2ccc(Br)cn2)c(OC)c1OC
InChIInChI=1S/C15H17BrN2O3/c1-19-12-6-4-10(14(20-2)15(12)21-3)8-17-13-7-5-11(16)9-18-13/h4-7,9H,8H2,1-3H3,(H,17,18)
InChIKeyLTHRFCLAJKTSHK-UHFFFAOYSA-N
MW353.22 g/mol
LogP3.48
Rot. Bonds6

About 5-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine

5-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine (PubChem CID 75372885) has the molecular formula C15H17BrN2O3 and a molecular weight of 353.22 g/mol. Its IUPAC name is 5-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine
PubChem CID75372885
Molecular FormulaC15H17BrN2O3
Molecular Weight353.22 g/mol
Exact Mass352.04
IUPAC Name5-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(CNc2ccc(Br)cn2)c(OC)c1OC
InChIInChI=1S/C15H17BrN2O3/c1-19-12-6-4-10(14(20-2)15(12)21-3)8-17-13-7-5-11(16)9-18-13/h4-7,9H,8H2,1-3H3,(H,17,18)
InChIKeyLTHRFCLAJKTSHK-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-[(2-methoxy-3,5-dimethylphenyl)methyl]pyridin-2-amine
CID 115146686
5-bromo-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-2-amine
CID 115146650
5-bromo-N-[(2,4,6-trimethoxyphenyl)methyl]pyridin-2-amine
CID 86054296
5-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine
CID 58259421
6-methoxy-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine
CID 78851492
4-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]aniline;oxalic acid
CID 171154855
1-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-amine
CID 60809473
3,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline
CID 775203
5-bromo-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyridin-2-amine
CID 115146824
N-[(2,3,4-trimethoxyphenyl)methyl]aniline
CID 3351558
5-bromo-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 61374133
6-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine
CID 75435934

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine (CID 75372885) is 5-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine is COc1ccc(CNc2ccc(Br)cn2)c(OC)c1OC.
What is the InChIKey of 5-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine?
The InChIKey is LTHRFCLAJKTSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O3/c1-19-12-6-4-10(14(20-2)15(12)21-3)8-17-13-7-5-11(16)9-18-13/h4-7,9H,8H2,1-3H3,(H,17,18).
What are the key properties of 5-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine?
5-bromo-N-[(2,3,4-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-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 75372885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).