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

C14H15BrN2O — CID 114252835

IUPAC5-bromo-N-[4-(methoxymethyl)phenyl]-4-methylpyridin-2-amine
SMILESCOCc1ccc(Nc2cc(C)c(Br)cn2)cc1
InChIInChI=1S/C14H15BrN2O/c1-10-7-14(16-8-13(10)15)17-12-5-3-11(4-6-12)9-18-2/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyZORUEYHRJGZLDP-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.04
Rot. Bonds4

About 5-bromo-N-[4-(methoxymethyl)phenyl]-4-methylpyridin-2-amine

5-bromo-N-[4-(methoxymethyl)phenyl]-4-methylpyridin-2-amine (PubChem CID 114252835) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 5-bromo-N-[4-(methoxymethyl)phenyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[4-(methoxymethyl)phenyl]-4-methylpyridin-2-amine
PubChem CID114252835
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name5-bromo-N-[4-(methoxymethyl)phenyl]-4-methylpyridin-2-amine
SMILESCOCc1ccc(Nc2cc(C)c(Br)cn2)cc1
InChIInChI=1S/C14H15BrN2O/c1-10-7-14(16-8-13(10)15)17-12-5-3-11(4-6-12)9-18-2/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyZORUEYHRJGZLDP-UHFFFAOYSA-N
XLogP4.04
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-methyl-N-[4-(2-methylpropyl)phenyl]pyridin-2-amine
CID 115146959
5-bromo-N-(4-methoxy-3,5-dimethylphenyl)-4-methylpyridin-2-amine
CID 115147018
5-bromo-4-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine
CID 114870519
5-N-(5-bromo-4-methyl-2-pyridinyl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 155298292
3-N-(5-bromo-4-methyl-2-pyridinyl)benzene-1,3-diamine
CID 114869099
5-[(5-bromo-4-methyl-2-pyridinyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 115147001
N-(5-bromo-4-methyl-2-pyridinyl)-1,3-benzothiazol-6-amine
CID 107801119
5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyridin-2-amine
CID 115773877
5-bromo-N-(2-bromo-5-methylphenyl)-4-methylpyridin-2-amine
CID 114870518
5-bromo-N-(2,5-dimethylphenyl)-4-methylpyridin-2-amine
CID 114870190
5-bromo-N-(4-bromo-2-methylphenyl)-4-methylpyridin-2-amine
CID 114870136
2-N-(4-chlorophenyl)-4-methylpyridine-2,5-diamine
CID 79021207

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(methoxymethyl)phenyl]-4-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[4-(methoxymethyl)phenyl]-4-methylpyridin-2-amine (CID 114252835) is 5-bromo-N-[4-(methoxymethyl)phenyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[4-(methoxymethyl)phenyl]-4-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[4-(methoxymethyl)phenyl]-4-methylpyridin-2-amine is COCc1ccc(Nc2cc(C)c(Br)cn2)cc1.
What is the InChIKey of 5-bromo-N-[4-(methoxymethyl)phenyl]-4-methylpyridin-2-amine?
The InChIKey is ZORUEYHRJGZLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-10-7-14(16-8-13(10)15)17-12-5-3-11(4-6-12)9-18-2/h3-8H,9H2,1-2H3,(H,16,17).
What are the key properties of 5-bromo-N-[4-(methoxymethyl)phenyl]-4-methylpyridin-2-amine?
5-bromo-N-[4-(methoxymethyl)phenyl]-4-methylpyridin-2-amine has a molecular weight of 307.19 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(methoxymethyl)phenyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 114252835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).