1-(3-bromo-4-methoxyphenyl)-2-pyridin-3-ylethanamine

C14H15BrN2O — CID 105034619

IUPAC1-(3-bromo-4-methoxyphenyl)-2-pyridin-3-ylethanamine
SMILESCOc1ccc(C(N)Cc2cccnc2)cc1Br
InChIInChI=1S/C14H15BrN2O/c1-18-14-5-4-11(8-12(14)15)13(16)7-10-3-2-6-17-9-10/h2-6,8-9,13H,7,16H2,1H3
InChIKeyGLHDQFVCADKBJY-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.10
Rot. Bonds4

About 1-(3-bromo-4-methoxyphenyl)-2-pyridin-3-ylethanamine

1-(3-bromo-4-methoxyphenyl)-2-pyridin-3-ylethanamine (PubChem CID 105034619) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-2-pyridin-3-ylethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-2-pyridin-3-ylethanamine
PubChem CID105034619
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name1-(3-bromo-4-methoxyphenyl)-2-pyridin-3-ylethanamine
SMILESCOc1ccc(C(N)Cc2cccnc2)cc1Br
InChIInChI=1S/C14H15BrN2O/c1-18-14-5-4-11(8-12(14)15)13(16)7-10-3-2-6-17-9-10/h2-6,8-9,13H,7,16H2,1H3
InChIKeyGLHDQFVCADKBJY-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

1-(4-methoxy-3-methylphenyl)-2-pyridin-3-ylethanamine
CID 104736678
3-[2-amino-2-(3-bromo-4-methoxyphenyl)ethyl]pyridin-2-amine
CID 106950903
1-(3-bromo-4-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62553466
1-(3-bromo-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105015145
(1R)-1-(3-bromo-4-methoxyphenyl)propan-1-amine
CID 28881228
1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine
CID 104657422
(1R)-1-(3-bromo-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225474
(1S)-1-(3-bromo-4-methoxyphenyl)-2-methoxyethanamine
CID 95466503
1-(3-bromo-4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81407566
1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107885311
2-(3-methoxyphenyl)-1-pyridin-3-ylethanamine
CID 22299530
1-(3-bromo-4-methoxyphenyl)-3-methylbutan-1-amine
CID 43131096

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-pyridin-3-ylethanamine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-pyridin-3-ylethanamine (CID 105034619) is 1-(3-bromo-4-methoxyphenyl)-2-pyridin-3-ylethanamine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-2-pyridin-3-ylethanamine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-2-pyridin-3-ylethanamine is COc1ccc(C(N)Cc2cccnc2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-2-pyridin-3-ylethanamine?
The InChIKey is GLHDQFVCADKBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-18-14-5-4-11(8-12(14)15)13(16)7-10-3-2-6-17-9-10/h2-6,8-9,13H,7,16H2,1H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-2-pyridin-3-ylethanamine?
1-(3-bromo-4-methoxyphenyl)-2-pyridin-3-ylethanamine 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-(3-bromo-4-methoxyphenyl)-2-pyridin-3-ylethanamine is sourced from PubChem (CID 105034619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).