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

C16H19BrN2O2 — CID 79043030

IUPACN-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpyridin-3-amine
SMILESCCOc1c(Br)cc(CNc2cccnc2C)cc1OC
InChIInChI=1S/C16H19BrN2O2/c1-4-21-16-13(17)8-12(9-15(16)20-3)10-19-14-6-5-7-18-11(14)2/h5-9,19H,4,10H2,1-3H3
InChIKeyYJESUPAKLCYLCO-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.17
Rot. Bonds6

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

N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpyridin-3-amine (PubChem CID 79043030) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpyridin-3-amine
PubChem CID79043030
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC NameN-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpyridin-3-amine
SMILESCCOc1c(Br)cc(CNc2cccnc2C)cc1OC
InChIInChI=1S/C16H19BrN2O2/c1-4-21-16-13(17)8-12(9-15(16)20-3)10-19-14-6-5-7-18-11(14)2/h5-9,19H,4,10H2,1-3H3
InChIKeyYJESUPAKLCYLCO-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

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

2,6-dimethoxy-4-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 79042152
3-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]-4-methylbenzoic acid
CID 17059635
N-[(3-bromo-4,5-diethoxyphenyl)methyl]-2,4-dimethylaniline
CID 1210744
N-[4-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]-2-methoxyphenyl]acetamide
CID 78885123
2-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9149547
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,3-difluoroaniline
CID 61075731
1-(3-bromo-4,5-dimethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305915
N-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-ethylaniline
CID 126117467
N-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-3-chloro-2-methylaniline
CID 126128582
N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-3-methylbutan-2-amine
CID 43406310
2-chloro-N-[(3-chloro-4,5-dimethoxyphenyl)methyl]pyridin-3-amine
CID 43782434
N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 78894013

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpyridin-3-amine?
The IUPAC name of N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpyridin-3-amine (CID 79043030) is N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpyridin-3-amine.
What is the SMILES notation for N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpyridin-3-amine?
The canonical SMILES for N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpyridin-3-amine is CCOc1c(Br)cc(CNc2cccnc2C)cc1OC.
What is the InChIKey of N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpyridin-3-amine?
The InChIKey is YJESUPAKLCYLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-4-21-16-13(17)8-12(9-15(16)20-3)10-19-14-6-5-7-18-11(14)2/h5-9,19H,4,10H2,1-3H3.
What are the key properties of N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpyridin-3-amine?
N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpyridin-3-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 N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpyridin-3-amine is sourced from PubChem (CID 79043030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).