1-[1-[(4-bromophenyl)methyl]pyrrol-2-yl]-N-ethylethanamine

C15H19BrN2 — CID 79102060

IUPAC1-[1-[(4-bromophenyl)methyl]pyrrol-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1cccn1Cc1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2/c1-3-17-12(2)15-5-4-10-18(15)11-13-6-8-14(16)9-7-13/h4-10,12,17H,3,11H2,1-2H3
InChIKeyAZOSBILWMKEUEL-UHFFFAOYSA-N
MW307.24 g/mol
LogP3.97
Rot. Bonds5

About 1-[1-[(4-bromophenyl)methyl]pyrrol-2-yl]-N-ethylethanamine

1-[1-[(4-bromophenyl)methyl]pyrrol-2-yl]-N-ethylethanamine (PubChem CID 79102060) has the molecular formula C15H19BrN2 and a molecular weight of 307.24 g/mol. Its IUPAC name is 1-[1-[(4-bromophenyl)methyl]pyrrol-2-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[1-[(4-bromophenyl)methyl]pyrrol-2-yl]-N-ethylethanamine
PubChem CID79102060
Molecular FormulaC15H19BrN2
Molecular Weight307.24 g/mol
Exact Mass306.07
IUPAC Name1-[1-[(4-bromophenyl)methyl]pyrrol-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1cccn1Cc1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2/c1-3-17-12(2)15-5-4-10-18(15)11-13-6-8-14(16)9-7-13/h4-10,12,17H,3,11H2,1-2H3
InChIKeyAZOSBILWMKEUEL-UHFFFAOYSA-N
XLogP3.97
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(4-bromo-2-nitrophenyl)methyl]pyrrol-2-yl]-N-ethylethanamine
CID 114382302
N-ethyl-1-[1-[(5-ethylthiophen-2-yl)methyl]pyrrol-2-yl]ethanamine
CID 79102565
N-ethyl-1-[1-(2-ethylbutyl)pyrrol-2-yl]ethanamine
CID 82928164
N-ethyl-1-[1-[(3-nitrophenyl)methyl]pyrrol-2-yl]ethanamine
CID 79102455
1-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-N-methylethanamine
CID 79102847
N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66403702
1-[1-[(2-bromo-4-nitrophenyl)methyl]pyrrol-2-yl]-N-ethylethanamine
CID 79108509
4-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]butan-1-ol
CID 79101966
N-ethyl-1-[1-[(2-nitrophenyl)methyl]pyrrol-2-yl]ethanamine
CID 79101759
N-methyl-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanamine
CID 79102137
N-ethyl-1-[1-(2-phenylsulfanylethyl)pyrrol-2-yl]ethanamine
CID 79227337
4-[[2-[1-(ethylamino)ethyl]pyrrol-1-yl]methyl]-3-methylbenzonitrile
CID 114485043

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-bromophenyl)methyl]pyrrol-2-yl]-N-ethylethanamine?
The IUPAC name of 1-[1-[(4-bromophenyl)methyl]pyrrol-2-yl]-N-ethylethanamine (CID 79102060) is 1-[1-[(4-bromophenyl)methyl]pyrrol-2-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[1-[(4-bromophenyl)methyl]pyrrol-2-yl]-N-ethylethanamine?
The canonical SMILES for 1-[1-[(4-bromophenyl)methyl]pyrrol-2-yl]-N-ethylethanamine is CCNC(C)c1cccn1Cc1ccc(Br)cc1.
What is the InChIKey of 1-[1-[(4-bromophenyl)methyl]pyrrol-2-yl]-N-ethylethanamine?
The InChIKey is AZOSBILWMKEUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2/c1-3-17-12(2)15-5-4-10-18(15)11-13-6-8-14(16)9-7-13/h4-10,12,17H,3,11H2,1-2H3.
What are the key properties of 1-[1-[(4-bromophenyl)methyl]pyrrol-2-yl]-N-ethylethanamine?
1-[1-[(4-bromophenyl)methyl]pyrrol-2-yl]-N-ethylethanamine has a molecular weight of 307.24 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-bromophenyl)methyl]pyrrol-2-yl]-N-ethylethanamine is sourced from PubChem (CID 79102060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).