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

C15H19BrN2O — CID 79102536

IUPAC1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]-N-methylethanamine
SMILESCNC(C)c1cccn1CCOc1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2O/c1-12(17-2)15-4-3-9-18(15)10-11-19-14-7-5-13(16)6-8-14/h3-9,12,17H,10-11H2,1-2H3
InChIKeyMATMOUAXOCYGTA-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.61
Rot. Bonds6

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

1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]-N-methylethanamine (PubChem CID 79102536) 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]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]-N-methylethanamine
PubChem CID79102536
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]-N-methylethanamine
SMILESCNC(C)c1cccn1CCOc1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2O/c1-12(17-2)15-4-3-9-18(15)10-11-19-14-7-5-13(16)6-8-14/h3-9,12,17H,10-11H2,1-2H3
InChIKeyMATMOUAXOCYGTA-UHFFFAOYSA-N
XLogP3.61
TPSA26.19 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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine
CID 66403693
1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]propan-2-amine
CID 66405263
1-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrol-2-yl]-N-methylethanamine
CID 79102049
N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]ethanamine
CID 115515148
1-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one
CID 82898557
1-[1-(2-ethylbutyl)pyrrol-2-yl]-N-methylethanamine
CID 82928163
1-[1-[2-(4-bromophenoxy)ethyl]imidazol-2-yl]propan-2-amine
CID 63095826
N-methyl-1-[4-(2-phenoxyethoxy)phenyl]ethanamine
CID 43285217
N-ethyl-1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine
CID 79108535
N-[2-(4-bromophenoxy)ethyl]-1-methoxypropan-2-amine
CID 60688516
1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]-N-methylethanamine
CID 79102946
2-(4-bromophenoxy)-1-(1-methylpyrrol-2-yl)ethanamine
CID 16641590

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]-N-methylethanamine?
The IUPAC name of 1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]-N-methylethanamine (CID 79102536) is 1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]-N-methylethanamine is CNC(C)c1cccn1CCOc1ccc(Br)cc1.
What is the InChIKey of 1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]-N-methylethanamine?
The InChIKey is MATMOUAXOCYGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-12(17-2)15-4-3-9-18(15)10-11-19-14-7-5-13(16)6-8-14/h3-9,12,17H,10-11H2,1-2H3.
What are the key properties of 1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]-N-methylethanamine?
1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]-N-methylethanamine has a molecular weight of 323.23 g/mol, XLogP of 3.61, 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-methylethanamine is sourced from PubChem (CID 79102536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).