6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyridin-3-amine

C15H17BrN2O — CID 104599975

IUPAC6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyridin-3-amine
SMILESCOc1ccc(C)cc1CNc1ccc(Br)nc1C
InChIInChI=1S/C15H17BrN2O/c1-10-4-6-14(19-3)12(8-10)9-17-13-5-7-15(16)18-11(13)2/h4-8,17H,9H2,1-3H3
InChIKeyYBQBMYNSZGTNTK-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.08
Rot. Bonds4

About 6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyridin-3-amine

6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyridin-3-amine (PubChem CID 104599975) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyridin-3-amine.

Molecular Properties

Compound Name6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyridin-3-amine
PubChem CID104599975
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyridin-3-amine
SMILESCOc1ccc(C)cc1CNc1ccc(Br)nc1C
InChIInChI=1S/C15H17BrN2O/c1-10-4-6-14(19-3)12(8-10)9-17-13-5-7-15(16)18-11(13)2/h4-8,17H,9H2,1-3H3
InChIKeyYBQBMYNSZGTNTK-UHFFFAOYSA-N
XLogP4.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine
CID 103934347
5-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]-2-methoxyphenol
CID 104600016
6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpyridin-3-amine
CID 104600023
2-bromo-3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 103478108
3-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-5-methylaniline
CID 107582097
6-bromo-N-[(3,4-dimethylphenyl)methyl]-2-methylpyridin-3-amine
CID 114050710
2,3-difluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 61075554
2,5-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-4-methylaniline
CID 104726123
4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine
CID 83167191
2-bromo-6-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 107597883
3-N-[(5-bromo-2-methoxyphenyl)methyl]-6-methylpyridine-2,3-diamine
CID 11551527
6-bromo-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpyridin-3-amine
CID 104599966

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyridin-3-amine?
The IUPAC name of 6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyridin-3-amine (CID 104599975) is 6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyridin-3-amine.
What is the SMILES notation for 6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyridin-3-amine?
The canonical SMILES for 6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyridin-3-amine is COc1ccc(C)cc1CNc1ccc(Br)nc1C.
What is the InChIKey of 6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyridin-3-amine?
The InChIKey is YBQBMYNSZGTNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-10-4-6-14(19-3)12(8-10)9-17-13-5-7-15(16)18-11(13)2/h4-8,17H,9H2,1-3H3.
What are the key properties of 6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyridin-3-amine?
6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyridin-3-amine has a molecular weight of 321.22 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyridin-3-amine is sourced from PubChem (CID 104599975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).