6-bromo-3,5-bis[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine

C22H23BrN2O2 — CID 169224423

IUPAC6-bromo-3,5-bis[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine
SMILESCOc1ccc(Cc2c(N)nc(Br)c(Cc3ccc(OC)cc3)c2C)cc1
InChIInChI=1S/C22H23BrN2O2/c1-14-19(12-15-4-8-17(26-2)9-5-15)21(23)25-22(24)20(14)13-16-6-10-18(27-3)11-7-16/h4-11H,12-13H2,1-3H3,(H2,24,25)
InChIKeyQTDMVXKANIWQBW-UHFFFAOYSA-N
MW427.34 g/mol
LogP4.93
Rot. Bonds6

About 6-bromo-3,5-bis[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine

6-bromo-3,5-bis[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine (PubChem CID 169224423) has the molecular formula C22H23BrN2O2 and a molecular weight of 427.34 g/mol. Its IUPAC name is 6-bromo-3,5-bis[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-bromo-3,5-bis[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine
PubChem CID169224423
Molecular FormulaC22H23BrN2O2
Molecular Weight427.34 g/mol
Exact Mass426.09
IUPAC Name6-bromo-3,5-bis[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine
SMILESCOc1ccc(Cc2c(N)nc(Br)c(Cc3ccc(OC)cc3)c2C)cc1
InChIInChI=1S/C22H23BrN2O2/c1-14-19(12-15-4-8-17(26-2)9-5-15)21(23)25-22(24)20(14)13-16-6-10-18(27-3)11-7-16/h4-11H,12-13H2,1-3H3,(H2,24,25)
InChIKeyQTDMVXKANIWQBW-UHFFFAOYSA-N
XLogP4.93
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.34
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4-tetramethoxy-5-[(4-methoxyphenyl)methyl]-6-methylbenzene
CID 142654799
5-bromo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 66303664
1,2,3,4-tetrakis[(4-methoxyphenyl)methyl]benzene
CID 175327763
4,5-bis[(4-methoxyphenyl)methyl]quinoline-2,3-diamine
CID 175277942
5-[6-(4-methoxyphenyl)hexyl]-6-methylpyrimidine-2,4-diamine
CID 142789376
4-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylbenzene
CID 15654338
5-bromo-3-[(4-methoxyphenyl)methyl]-2-methylthiophene
CID 66692858
5-benzyl-4,6-bis(4-methoxyphenyl)pyrimidin-2-amine
CID 139449734
4-[(4-methoxy-2-methylphenyl)methyl]aniline
CID 90158561
7-methoxy-4-methylquinolin-2-amine
CID 53485904
7-[(4-methoxyphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 135341277
4-amino-2-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-5-carbonitrile
CID 116647095

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,5-bis[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine?
The IUPAC name of 6-bromo-3,5-bis[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine (CID 169224423) is 6-bromo-3,5-bis[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 6-bromo-3,5-bis[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine?
The canonical SMILES for 6-bromo-3,5-bis[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine is COc1ccc(Cc2c(N)nc(Br)c(Cc3ccc(OC)cc3)c2C)cc1.
What is the InChIKey of 6-bromo-3,5-bis[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine?
The InChIKey is QTDMVXKANIWQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN2O2/c1-14-19(12-15-4-8-17(26-2)9-5-15)21(23)25-22(24)20(14)13-16-6-10-18(27-3)11-7-16/h4-11H,12-13H2,1-3H3,(H2,24,25).
What are the key properties of 6-bromo-3,5-bis[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine?
6-bromo-3,5-bis[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine has a molecular weight of 427.34 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,5-bis[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 169224423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).