3-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpyridin-2-amine

C15H17BrN2O — CID 106875542

IUPAC3-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpyridin-2-amine
SMILESCOCc1cccc(CNc2nccc(C)c2Br)c1
InChIInChI=1S/C15H17BrN2O/c1-11-6-7-17-15(14(11)16)18-9-12-4-3-5-13(8-12)10-19-2/h3-8H,9-10H2,1-2H3,(H,17,18)
InChIKeyVQVIPHMIIJUBJL-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.91
Rot. Bonds5

About 3-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpyridin-2-amine

3-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpyridin-2-amine (PubChem CID 106875542) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 3-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpyridin-2-amine
PubChem CID106875542
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name3-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpyridin-2-amine
SMILESCOCc1cccc(CNc2nccc(C)c2Br)c1
InChIInChI=1S/C15H17BrN2O/c1-11-6-7-17-15(14(11)16)18-9-12-4-3-5-13(8-12)10-19-2/h3-8H,9-10H2,1-2H3,(H,17,18)
InChIKeyVQVIPHMIIJUBJL-UHFFFAOYSA-N
XLogP3.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpyridin-2-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

5-bromo-6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106193488
3-N-[[3-(methoxymethyl)phenyl]methyl]pyrazine-2,3-diamine
CID 113228936
3-bromo-4-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 106875469
3-[[3-(methoxymethyl)phenyl]methylamino]pyrazine-2-carbonitrile
CID 62672178
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-methylpyridin-2-amine
CID 106875693
N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 61253758
5-iodo-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 66342329
3-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 106875724
N-[[3-(methoxymethyl)phenyl]methyl]-6-methylpyrimidin-4-amine
CID 61226702
6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-5-propylpyrimidin-4-amine
CID 106193512
2-bromo-5-fluoro-N-[[3-(methoxymethyl)phenyl]methyl]aniline
CID 103826024
6-chloro-5-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106193509

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpyridin-2-amine (CID 106875542) is 3-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpyridin-2-amine is COCc1cccc(CNc2nccc(C)c2Br)c1.
What is the InChIKey of 3-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpyridin-2-amine?
The InChIKey is VQVIPHMIIJUBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-11-6-7-17-15(14(11)16)18-9-12-4-3-5-13(8-12)10-19-2/h3-8H,9-10H2,1-2H3,(H,17,18).
What are the key properties of 3-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpyridin-2-amine?
3-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpyridin-2-amine has a molecular weight of 321.22 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 106875542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).