1-(2-bromophenyl)-2-pyridin-3-yloxyethanamine

C13H13BrN2O — CID 117243775

IUPAC1-(2-bromophenyl)-2-pyridin-3-yloxyethanamine
SMILESNC(COc1cccnc1)c1ccccc1Br
InChIInChI=1S/C13H13BrN2O/c14-12-6-2-1-5-11(12)13(15)9-17-10-4-3-7-16-8-10/h1-8,13H,9,15H2
InChIKeyPLLYHAKJHNTRQK-UHFFFAOYSA-N
MW293.16 g/mol
LogP2.92
Rot. Bonds4

About 1-(2-bromophenyl)-2-pyridin-3-yloxyethanamine

1-(2-bromophenyl)-2-pyridin-3-yloxyethanamine (PubChem CID 117243775) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-pyridin-3-yloxyethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-pyridin-3-yloxyethanamine
PubChem CID117243775
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name1-(2-bromophenyl)-2-pyridin-3-yloxyethanamine
SMILESNC(COc1cccnc1)c1ccccc1Br
InChIInChI=1S/C13H13BrN2O/c14-12-6-2-1-5-11(12)13(15)9-17-10-4-3-7-16-8-10/h1-8,13H,9,15H2
InChIKeyPLLYHAKJHNTRQK-UHFFFAOYSA-N
XLogP2.92
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-pyridin-3-yloxybutan-2-amine
CID 117242309
1-(3-fluorophenyl)-2-pyridin-3-yloxyethanamine
CID 117242787
1-(3-methoxyphenyl)-2-pyridin-3-yloxyethanamine
CID 117242794
1-pyridin-3-yloxypentan-2-amine
CID 117241763
2-(2-methoxyphenyl)-3-pyridin-3-yloxypropan-1-amine
CID 117244112
1-(2-fluorophenyl)-2-pyridin-3-yloxyethanol
CID 117243776
(1R)-1-(2-bromophenyl)-3,3,3-trifluoropropan-1-amine
CID 97290639
1-(2-bromophenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 62628732
(2-bromophenyl)-pyrazin-2-ylmethanamine
CID 63970477
3-(aminomethyl)-4-pyridin-3-yloxybutan-1-ol
CID 117236929
4-methoxy-1-pyridin-3-yloxybutan-2-amine
CID 117236788
2-(pyridin-3-yloxymethyl)pentan-1-amine
CID 117241997

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-pyridin-3-yloxyethanamine?
The IUPAC name of 1-(2-bromophenyl)-2-pyridin-3-yloxyethanamine (CID 117243775) is 1-(2-bromophenyl)-2-pyridin-3-yloxyethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-2-pyridin-3-yloxyethanamine?
The canonical SMILES for 1-(2-bromophenyl)-2-pyridin-3-yloxyethanamine is NC(COc1cccnc1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-pyridin-3-yloxyethanamine?
The InChIKey is PLLYHAKJHNTRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c14-12-6-2-1-5-11(12)13(15)9-17-10-4-3-7-16-8-10/h1-8,13H,9,15H2.
What are the key properties of 1-(2-bromophenyl)-2-pyridin-3-yloxyethanamine?
1-(2-bromophenyl)-2-pyridin-3-yloxyethanamine has a molecular weight of 293.16 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-pyridin-3-yloxyethanamine is sourced from PubChem (CID 117243775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).