1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine

C14H17BrN2O — CID 66403693

IUPAC1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine
SMILESCNCc1cccn1CCOc1ccc(Br)cc1
InChIInChI=1S/C14H17BrN2O/c1-16-11-13-3-2-8-17(13)9-10-18-14-6-4-12(15)5-7-14/h2-8,16H,9-11H2,1H3
InChIKeyKJCZSIGEOOIELY-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.05
Rot. Bonds6

About 1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine

1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine (PubChem CID 66403693) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine
PubChem CID66403693
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine
SMILESCNCc1cccn1CCOc1ccc(Br)cc1
InChIInChI=1S/C14H17BrN2O/c1-16-11-13-3-2-8-17(13)9-10-18-14-6-4-12(15)5-7-14/h2-8,16H,9-11H2,1H3
InChIKeyKJCZSIGEOOIELY-UHFFFAOYSA-N
XLogP3.05
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]propan-2-amine
CID 66405263
1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]-N-methylethanamine
CID 79102536
1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]-N-methylmethanamine
CID 104565466
N-[[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]methyl]ethanamine
CID 66403711
1-[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine
CID 103181719
N-[[1-(2-phenoxyethyl)pyrrol-2-yl]methyl]cyclopropanamine
CID 66403366
N-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-2-yl]methanamine
CID 66400746
1-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrol-2-yl]-N-methylmethanamine
CID 66402900
4-[2-(methylaminomethyl)pyrrol-1-yl]butanenitrile
CID 66400963
1-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]propan-2-amine
CID 66405662
N-methyl-1-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methanamine
CID 66401352
N-[2-(4-bromophenoxy)ethyl]-4-methylpiperazin-1-amine
CID 83021906

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine (CID 66403693) is 1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine is CNCc1cccn1CCOc1ccc(Br)cc1.
What is the InChIKey of 1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine?
The InChIKey is KJCZSIGEOOIELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-16-11-13-3-2-8-17(13)9-10-18-14-6-4-12(15)5-7-14/h2-8,16H,9-11H2,1H3.
What are the key properties of 1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine?
1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine has a molecular weight of 309.21 g/mol, XLogP of 3.05, 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]-N-methylmethanamine is sourced from PubChem (CID 66403693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).