[1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]methanamine

C13H15BrN2O — CID 66408844

IUPAC[1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]methanamine
SMILESNCc1ccn(CCOc2ccc(Br)cc2)c1
InChIInChI=1S/C13H15BrN2O/c14-12-1-3-13(4-2-12)17-8-7-16-6-5-11(9-15)10-16/h1-6,10H,7-9,15H2
InChIKeyGBVOXVDGUUHGEA-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.79
Rot. Bonds5

About [1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]methanamine

[1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]methanamine (PubChem CID 66408844) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is [1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]methanamine
PubChem CID66408844
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name[1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]methanamine
SMILESNCc1ccn(CCOc2ccc(Br)cc2)c1
InChIInChI=1S/C13H15BrN2O/c14-12-1-3-13(4-2-12)17-8-7-16-6-5-11(9-15)10-16/h1-6,10H,7-9,15H2
InChIKeyGBVOXVDGUUHGEA-UHFFFAOYSA-N
XLogP2.79
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]ethanamine
CID 66406852
[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanamine
CID 66408847
1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]-2-methylpropan-1-amine
CID 79096865
[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanamine
CID 104565446
1-[2-(4-bromophenoxy)ethyl]-3,4-dimethylpyrrole
CID 114273362
[1-(2-propoxyethyl)pyrrol-3-yl]methanamine
CID 106455260
[3,5-dibromo-4-[2-(4-bromophenoxy)ethoxy]phenyl]methanamine
CID 107741280
1-[2-(4-bromophenoxy)ethyl]pyrazole
CID 46739423
[4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine
CID 46222769
[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanamine
CID 66409945
1-[2-(4-bromophenoxy)ethyl]piperidin-4-ol
CID 39423005
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine
CID 43531130

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]methanamine?
The IUPAC name of [1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]methanamine (CID 66408844) is [1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]methanamine.
What is the SMILES notation for [1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]methanamine?
The canonical SMILES for [1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]methanamine is NCc1ccn(CCOc2ccc(Br)cc2)c1.
What is the InChIKey of [1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]methanamine?
The InChIKey is GBVOXVDGUUHGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c14-12-1-3-13(4-2-12)17-8-7-16-6-5-11(9-15)10-16/h1-6,10H,7-9,15H2.
What are the key properties of [1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]methanamine?
[1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]methanamine has a molecular weight of 295.18 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]methanamine is sourced from PubChem (CID 66408844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).