2-(3-bromo-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine

C15H17BrN2O — CID 105110877

IUPAC2-(3-bromo-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine
SMILESCOc1ccc(CC(N)c2cccnc2C)cc1Br
InChIInChI=1S/C15H17BrN2O/c1-10-12(4-3-7-18-10)14(17)9-11-5-6-15(19-2)13(16)8-11/h3-8,14H,9,17H2,1-2H3
InChIKeyDXNWFRAAUIRQMT-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.40
Rot. Bonds4

About 2-(3-bromo-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine

2-(3-bromo-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine (PubChem CID 105110877) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine
PubChem CID105110877
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name2-(3-bromo-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine
SMILESCOc1ccc(CC(N)c2cccnc2C)cc1Br
InChIInChI=1S/C15H17BrN2O/c1-10-12(4-3-7-18-10)14(17)9-11-5-6-15(19-2)13(16)8-11/h3-8,14H,9,17H2,1-2H3
InChIKeyDXNWFRAAUIRQMT-UHFFFAOYSA-N
XLogP3.40
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine
CID 105122098
2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
CID 105110930
2-(2-bromophenyl)-1-(2-methyl-3-pyridinyl)ethanamine
CID 105087456
2-(3-bromo-4-methoxyphenyl)-1-(3,5-dibromophenyl)ethanamine
CID 107974001
2-(3-fluoro-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanol
CID 105084537
2-(3-bromo-4-methoxyphenyl)-1-(1-methylimidazol-4-yl)ethanamine
CID 114022865
1-(3-bromo-4-methoxyphenyl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 62899973
2-amino-3-(3-bromo-4-methoxyphenyl)propanenitrile
CID 102548362
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
1-(2-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 105123435
2-(3-bromo-4-methoxyphenyl)-1-(3-ethyl-2-pyridinyl)ethanol
CID 82729946

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine (CID 105110877) is 2-(3-bromo-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine is COc1ccc(CC(N)c2cccnc2C)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine?
The InChIKey is DXNWFRAAUIRQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-10-12(4-3-7-18-10)14(17)9-11-5-6-15(19-2)13(16)8-11/h3-8,14H,9,17H2,1-2H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine?
2-(3-bromo-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine has a molecular weight of 321.22 g/mol, XLogP of 3.40, 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-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 105110877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).