1-[2-(4-bromophenoxy)ethyl]-3,4-dimethylpyrrole

C14H16BrNO — CID 114273362

IUPAC1-[2-(4-bromophenoxy)ethyl]-3,4-dimethylpyrrole
SMILESCc1cn(CCOc2ccc(Br)cc2)cc1C
InChIInChI=1S/C14H16BrNO/c1-11-9-16(10-12(11)2)7-8-17-14-5-3-13(15)4-6-14/h3-6,9-10H,7-8H2,1-2H3
InChIKeyPCNGEOUDJRTEHU-UHFFFAOYSA-N
MW294.19 g/mol
LogP3.95
Rot. Bonds4

About 1-[2-(4-bromophenoxy)ethyl]-3,4-dimethylpyrrole

1-[2-(4-bromophenoxy)ethyl]-3,4-dimethylpyrrole (PubChem CID 114273362) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is 1-[2-(4-bromophenoxy)ethyl]-3,4-dimethylpyrrole.

Molecular Properties

Compound Name1-[2-(4-bromophenoxy)ethyl]-3,4-dimethylpyrrole
PubChem CID114273362
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name1-[2-(4-bromophenoxy)ethyl]-3,4-dimethylpyrrole
SMILESCc1cn(CCOc2ccc(Br)cc2)cc1C
InChIInChI=1S/C14H16BrNO/c1-11-9-16(10-12(11)2)7-8-17-14-5-3-13(15)4-6-14/h3-6,9-10H,7-8H2,1-2H3
InChIKeyPCNGEOUDJRTEHU-UHFFFAOYSA-N
XLogP3.95
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]methanamine
CID 66408844
1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]-2-methylpropan-1-amine
CID 79096865
2-[1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]ethanamine
CID 66406852
1-[2-(4-bromophenoxy)ethyl]-3,4,5-trimethylpyrazole
CID 54970941
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperazine
CID 60644690
1-[2-(4-bromophenoxy)ethyl]-6-methylpyridin-2-one
CID 54970701
1-[2-(4-bromophenoxy)ethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79180667
1-[2-(4-bromophenoxy)ethyl]-4-chloro-3,5-dimethylpyrazole
CID 62129029
1-[2-(4-methylphenoxy)ethyl]pyrrole
CID 70911125
1-[2-(4-bromophenoxy)ethyl]-4-[5-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]pentyl]piperazine
CID 56955385
1-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]benzene
CID 60627963
1-[2-(4-bromophenoxy)ethyl]pyrazole
CID 46739423

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenoxy)ethyl]-3,4-dimethylpyrrole?
The IUPAC name of 1-[2-(4-bromophenoxy)ethyl]-3,4-dimethylpyrrole (CID 114273362) is 1-[2-(4-bromophenoxy)ethyl]-3,4-dimethylpyrrole.
What is the SMILES notation for 1-[2-(4-bromophenoxy)ethyl]-3,4-dimethylpyrrole?
The canonical SMILES for 1-[2-(4-bromophenoxy)ethyl]-3,4-dimethylpyrrole is Cc1cn(CCOc2ccc(Br)cc2)cc1C.
What is the InChIKey of 1-[2-(4-bromophenoxy)ethyl]-3,4-dimethylpyrrole?
The InChIKey is PCNGEOUDJRTEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-11-9-16(10-12(11)2)7-8-17-14-5-3-13(15)4-6-14/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 1-[2-(4-bromophenoxy)ethyl]-3,4-dimethylpyrrole?
1-[2-(4-bromophenoxy)ethyl]-3,4-dimethylpyrrole has a molecular weight of 294.19 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenoxy)ethyl]-3,4-dimethylpyrrole is sourced from PubChem (CID 114273362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).