N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine

C15H15BrN2O3 — CID 43706525

IUPACN-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine
SMILESCCOc1ncccc1NCc1cc2c(cc1Br)OCO2
InChIInChI=1S/C15H15BrN2O3/c1-2-19-15-12(4-3-5-17-15)18-8-10-6-13-14(7-11(10)16)21-9-20-13/h3-7,18H,2,8-9H2,1H3
InChIKeyDWVUETBZURQCBO-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.58
Rot. Bonds5

About N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine

N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine (PubChem CID 43706525) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine.

Molecular Properties

Compound NameN-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine
PubChem CID43706525
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC NameN-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine
SMILESCCOc1ncccc1NCc1cc2c(cc1Br)OCO2
InChIInChI=1S/C15H15BrN2O3/c1-2-19-15-12(4-3-5-17-15)18-8-10-6-13-14(7-11(10)16)21-9-20-13/h3-7,18H,2,8-9H2,1H3
InChIKeyDWVUETBZURQCBO-UHFFFAOYSA-N
XLogP3.58
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine
CID 43706361
4-bromo-2-[[(2-ethoxy-3-pyridinyl)amino]methyl]phenol
CID 103823701
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-propan-2-ylaniline
CID 43393522
2-ethoxy-N-[(2-methylphenyl)methyl]pyridin-3-amine
CID 43706219
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-ethylsulfanylaniline
CID 63453308
N-[(2,4-dichlorophenyl)methyl]-2-ethoxypyridin-3-amine
CID 43706260
2-ethoxy-N-(naphthalen-1-ylmethyl)pyridin-3-amine
CID 43706191
2-ethoxy-N-(thiophen-2-ylmethyl)pyridin-3-amine
CID 43706255
2-ethoxy-N-[(4-ethylphenyl)methyl]pyridin-3-amine
CID 43706225
2-ethoxy-N-[(4-ethoxyphenyl)methyl]pyridin-3-amine
CID 43706214
N-[(3,5-dimethoxyphenyl)methyl]-2-ethoxypyridin-3-amine
CID 43706520
2-ethoxy-N-[(3-ethoxyphenyl)methyl]pyridin-3-amine
CID 60874271

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine?
The IUPAC name of N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine (CID 43706525) is N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine.
What is the SMILES notation for N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine?
The canonical SMILES for N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine is CCOc1ncccc1NCc1cc2c(cc1Br)OCO2.
What is the InChIKey of N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine?
The InChIKey is DWVUETBZURQCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-2-19-15-12(4-3-5-17-15)18-8-10-6-13-14(7-11(10)16)21-9-20-13/h3-7,18H,2,8-9H2,1H3.
What are the key properties of N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine?
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine has a molecular weight of 351.20 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-ethoxypyridin-3-amine is sourced from PubChem (CID 43706525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).