2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine

C16H19BrN2O — CID 105110930

IUPAC2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
SMILESCOc1ccc(CC(N)c2ccc(C)nc2C)cc1Br
InChIInChI=1S/C16H19BrN2O/c1-10-4-6-13(11(2)19-10)15(18)9-12-5-7-16(20-3)14(17)8-12/h4-8,15H,9,18H2,1-3H3
InChIKeyOYEZAGIWOSIFMZ-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.71
Rot. Bonds4

About 2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine

2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine (PubChem CID 105110930) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
PubChem CID105110930
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
SMILESCOc1ccc(CC(N)c2ccc(C)nc2C)cc1Br
InChIInChI=1S/C16H19BrN2O/c1-10-4-6-13(11(2)19-10)15(18)9-12-5-7-16(20-3)14(17)8-12/h4-8,15H,9,18H2,1-3H3
InChIKeyOYEZAGIWOSIFMZ-UHFFFAOYSA-N
XLogP3.71
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine
CID 105110877
2-(3-bromo-4-methoxyphenyl)-1-(3,5-dibromophenyl)ethanamine
CID 107974001
1-(3-bromo-4-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 62797223
1-(3-bromo-4-methoxyphenyl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 62899973
1-(3-bromo-4-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62553466
2-(3-bromo-4-methoxyphenyl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804312
2-(3-bromo-4-methoxyphenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine
CID 115817818
2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
CID 107891606
1-(1-benzofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)ethanamine
CID 63091845
[2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]hydrazine
CID 107504894
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine
CID 115817898
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine (CID 105110930) is 2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine is COc1ccc(CC(N)c2ccc(C)nc2C)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine?
The InChIKey is OYEZAGIWOSIFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-10-4-6-13(11(2)19-10)15(18)9-12-5-7-16(20-3)14(17)8-12/h4-8,15H,9,18H2,1-3H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine?
2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine has a molecular weight of 335.25 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 105110930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).