1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]propan-2-amine

C15H19BrN2O — CID 66405263

IUPAC1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]propan-2-amine
SMILESCC(N)Cc1cccn1CCOc1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2O/c1-12(17)11-14-3-2-8-18(14)9-10-19-15-6-4-13(16)5-7-15/h2-8,12H,9-11,17H2,1H3
InChIKeyFFBJXODPUWVBLD-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.22
Rot. Bonds6

About 1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]propan-2-amine

1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]propan-2-amine (PubChem CID 66405263) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]propan-2-amine
PubChem CID66405263
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]propan-2-amine
SMILESCC(N)Cc1cccn1CCOc1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2O/c1-12(17)11-14-3-2-8-18(14)9-10-19-15-6-4-13(16)5-7-15/h2-8,12H,9-11,17H2,1H3
InChIKeyFFBJXODPUWVBLD-UHFFFAOYSA-N
XLogP3.22
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]propan-2-amine
CID 66405662
1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine
CID 66403693
1-[1-[2-(4-bromophenoxy)ethyl]imidazol-2-yl]propan-2-amine
CID 63095826
1-[1-(2-ethoxyethyl)pyrrol-2-yl]propan-2-amine
CID 66406679
1-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]butan-2-amine
CID 66404052
1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]-N-methylethanamine
CID 79102536
1-(1-hexylpyrrol-2-yl)propan-2-amine
CID 66406274
1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-2-yl]propan-2-amine
CID 103015071
1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]propan-2-amine
CID 115518326
1-[5-[2-(4-bromophenoxy)ethoxy]-2-pyridinyl]propan-2-amine
CID 79790646
1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]-2-methylpropan-1-amine
CID 79096865
1-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]propan-2-amine
CID 66404862

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]propan-2-amine?
The IUPAC name of 1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]propan-2-amine (CID 66405263) is 1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]propan-2-amine?
The canonical SMILES for 1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]propan-2-amine is CC(N)Cc1cccn1CCOc1ccc(Br)cc1.
What is the InChIKey of 1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]propan-2-amine?
The InChIKey is FFBJXODPUWVBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-12(17)11-14-3-2-8-18(14)9-10-19-15-6-4-13(16)5-7-15/h2-8,12H,9-11,17H2,1H3.
What are the key properties of 1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]propan-2-amine?
1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]propan-2-amine has a molecular weight of 323.23 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]propan-2-amine is sourced from PubChem (CID 66405263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).