N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-(6-methyl-2-pyridinyl)methanamine

C16H19BrN2O — CID 78995477

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
SMILESCOc1ccc(Br)cc1CN(C)Cc1cccc(C)n1
InChIInChI=1S/C16H19BrN2O/c1-12-5-4-6-15(18-12)11-19(2)10-13-9-14(17)7-8-16(13)20-3/h4-9H,10-11H2,1-3H3
InChIKeyJRUUFLGUPTYLHE-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.79
Rot. Bonds5

About N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-(6-methyl-2-pyridinyl)methanamine

N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-(6-methyl-2-pyridinyl)methanamine (PubChem CID 78995477) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-(6-methyl-2-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
PubChem CID78995477
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
SMILESCOc1ccc(Br)cc1CN(C)Cc1cccc(C)n1
InChIInChI=1S/C16H19BrN2O/c1-12-5-4-6-15(18-12)11-19(2)10-13-9-14(17)7-8-16(13)20-3/h4-9H,10-11H2,1-3H3
InChIKeyJRUUFLGUPTYLHE-UHFFFAOYSA-N
XLogP3.79
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methoxy-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanamine
CID 106785650
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylethanamine
CID 782861
2-[4-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 17436287
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylbutan-1-amine
CID 54971591
N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-methylmethanediamine
CID 115226195
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)acetamide
CID 2657702
1-(5-bromo-2-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 24594012
2,5-dibromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 114372600
1-(3-bromocyclobutyl)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylmethanamine
CID 80691494
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(methylcarbamoyl)acetamide
CID 8558737
2-(1-aminoethyl)-4-bromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 82967969
5-bromo-2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 79003905

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-(6-methyl-2-pyridinyl)methanamine?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-(6-methyl-2-pyridinyl)methanamine (CID 78995477) is N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-(6-methyl-2-pyridinyl)methanamine.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-(6-methyl-2-pyridinyl)methanamine?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-(6-methyl-2-pyridinyl)methanamine is COc1ccc(Br)cc1CN(C)Cc1cccc(C)n1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-(6-methyl-2-pyridinyl)methanamine?
The InChIKey is JRUUFLGUPTYLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-12-5-4-6-15(18-12)11-19(2)10-13-9-14(17)7-8-16(13)20-3/h4-9H,10-11H2,1-3H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-(6-methyl-2-pyridinyl)methanamine?
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-(6-methyl-2-pyridinyl)methanamine has a molecular weight of 335.25 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-(6-methyl-2-pyridinyl)methanamine is sourced from PubChem (CID 78995477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).