1-(5-bromo-2-pyridinyl)-2-(2-methoxyphenyl)ethanamine

C14H15BrN2O — CID 113398350

IUPAC1-(5-bromo-2-pyridinyl)-2-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1CC(N)c1ccc(Br)cn1
InChIInChI=1S/C14H15BrN2O/c1-18-14-5-3-2-4-10(14)8-12(16)13-7-6-11(15)9-17-13/h2-7,9,12H,8,16H2,1H3
InChIKeyQWACWFIMCPSMTO-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.10
Rot. Bonds4

About 1-(5-bromo-2-pyridinyl)-2-(2-methoxyphenyl)ethanamine

1-(5-bromo-2-pyridinyl)-2-(2-methoxyphenyl)ethanamine (PubChem CID 113398350) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-2-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-2-(2-methoxyphenyl)ethanamine
PubChem CID113398350
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name1-(5-bromo-2-pyridinyl)-2-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1CC(N)c1ccc(Br)cn1
InChIInChI=1S/C14H15BrN2O/c1-18-14-5-3-2-4-10(14)8-12(16)13-7-6-11(15)9-17-13/h2-7,9,12H,8,16H2,1H3
InChIKeyQWACWFIMCPSMTO-UHFFFAOYSA-N
XLogP3.10
TPSA48.14 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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105107532
(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
1-(4-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)ethanamine
CID 61079999
2-(2-methoxyphenyl)-1-(thiadiazol-4-yl)ethanamine
CID 105107355
1-(4-bromo-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 62602156
2-(2-methoxyphenyl)-1-pyridin-3-ylethanamine
CID 22299211
1-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 61261607
1-(5-bromo-2-pyridinyl)-N-ethyl-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 104794282
[1-(3,5-dibromo-2-pyridinyl)-2-(2-methoxyphenyl)ethyl]hydrazine
CID 105268540
2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950747
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-2-(2-methoxyphenyl)ethanamine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-2-(2-methoxyphenyl)ethanamine (CID 113398350) is 1-(5-bromo-2-pyridinyl)-2-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-2-(2-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-2-(2-methoxyphenyl)ethanamine is COc1ccccc1CC(N)c1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-2-(2-methoxyphenyl)ethanamine?
The InChIKey is QWACWFIMCPSMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-18-14-5-3-2-4-10(14)8-12(16)13-7-6-11(15)9-17-13/h2-7,9,12H,8,16H2,1H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-2-(2-methoxyphenyl)ethanamine?
1-(5-bromo-2-pyridinyl)-2-(2-methoxyphenyl)ethanamine has a molecular weight of 307.19 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-2-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 113398350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).