3-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyridin-2-amine

C16H19BrN2O — CID 105366749

IUPAC3-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyridin-2-amine
SMILESCCOCc1ccccc1CNc1ncc(C)cc1Br
InChIInChI=1S/C16H19BrN2O/c1-3-20-11-14-7-5-4-6-13(14)10-19-16-15(17)8-12(2)9-18-16/h4-9H,3,10-11H2,1-2H3,(H,18,19)
InChIKeyKGTDLNATQYWIKB-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.30
Rot. Bonds6

About 3-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyridin-2-amine

3-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyridin-2-amine (PubChem CID 105366749) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 3-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyridin-2-amine
PubChem CID105366749
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name3-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyridin-2-amine
SMILESCCOCc1ccccc1CNc1ncc(C)cc1Br
InChIInChI=1S/C16H19BrN2O/c1-3-20-11-14-7-5-4-6-13(14)10-19-16-15(17)8-12(2)9-18-16/h4-9H,3,10-11H2,1-2H3,(H,18,19)
InChIKeyKGTDLNATQYWIKB-UHFFFAOYSA-N
XLogP4.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[(2-bromophenyl)methyl]-5-methylpyridin-2-amine
CID 105366810
3-bromo-5-methyl-N-(naphthalen-1-ylmethyl)pyridin-2-amine
CID 105366894
N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyridazin-3-amine
CID 106549558
5-bromo-6-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106192856
3-bromo-5-methyl-N-(2-phenoxyethyl)pyridin-2-amine
CID 105366850
3,5-dibromo-N-[(2-chlorophenyl)methyl]pyridin-2-amine
CID 12611962
N-[[2-(ethoxymethyl)phenyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64915379
3-bromo-N-[(3,4-difluorophenyl)methyl]-5-methylpyridin-2-amine
CID 105366846
N-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine
CID 66158776
N-[(2-bromo-5-fluorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine
CID 60924648
3-[[2-(ethoxymethyl)phenyl]methylamino]-1-ethylpyrazin-2-one
CID 62938649
4-chloro-6-[[2-(ethoxymethyl)phenyl]methylamino]pyrimidine-5-carbaldehyde
CID 106192866

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyridin-2-amine (CID 105366749) is 3-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyridin-2-amine is CCOCc1ccccc1CNc1ncc(C)cc1Br.
What is the InChIKey of 3-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyridin-2-amine?
The InChIKey is KGTDLNATQYWIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-3-20-11-14-7-5-4-6-13(14)10-19-16-15(17)8-12(2)9-18-16/h4-9H,3,10-11H2,1-2H3,(H,18,19).
What are the key properties of 3-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyridin-2-amine?
3-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyridin-2-amine has a molecular weight of 335.25 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyridin-2-amine is sourced from PubChem (CID 105366749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).