2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]ethanamine

C14H17BrN2O — CID 66405437

IUPAC2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]ethanamine
SMILESCOc1ccc(Br)c(Cn2ccc(CCN)c2)c1
InChIInChI=1S/C14H17BrN2O/c1-18-13-2-3-14(15)12(8-13)10-17-7-5-11(9-17)4-6-16/h2-3,5,7-9H,4,6,10,16H2,1H3
InChIKeyONCZBTSWFOIEAS-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.81
Rot. Bonds5

About 2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]ethanamine

2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]ethanamine (PubChem CID 66405437) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]ethanamine
PubChem CID66405437
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]ethanamine
SMILESCOc1ccc(Br)c(Cn2ccc(CCN)c2)c1
InChIInChI=1S/C14H17BrN2O/c1-18-13-2-3-14(15)12(8-13)10-17-7-5-11(9-17)4-6-16/h2-3,5,7-9H,4,6,10,16H2,1H3
InChIKeyONCZBTSWFOIEAS-UHFFFAOYSA-N
XLogP2.81
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]ethanamine
CID 79982978
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66404154
2-(2-bromo-5-methoxyphenyl)ethanamine
CID 46831332
2-(2-bromo-5-methoxyphenyl)ethanamine;hydrochloride
CID 53493299
2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine
CID 66406254
[1-[(2-bromo-5-methoxyphenyl)methyl]triazol-4-yl]methanamine
CID 65326569
4-[1-[(2-bromo-5-methoxyphenyl)methyl]triazol-4-yl]butan-1-amine
CID 104539349
1-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721100
[1-[(3-methoxyphenyl)methyl]pyrrol-3-yl]methanamine
CID 66408417
1-[(2-bromo-5-methoxyphenyl)methyl]imidazole-4-carboxylic acid
CID 106717011
2-(2-bromo-5-methoxyphenyl)ethanol
CID 10489678
4-(2-bromo-5-methoxyphenyl)-3-methylbutan-1-amine
CID 81013376

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]ethanamine?
The IUPAC name of 2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]ethanamine (CID 66405437) is 2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]ethanamine?
The canonical SMILES for 2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]ethanamine is COc1ccc(Br)c(Cn2ccc(CCN)c2)c1.
What is the InChIKey of 2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]ethanamine?
The InChIKey is ONCZBTSWFOIEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-18-13-2-3-14(15)12(8-13)10-17-7-5-11(9-17)4-6-16/h2-3,5,7-9H,4,6,10,16H2,1H3.
What are the key properties of 2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]ethanamine?
2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]ethanamine has a molecular weight of 309.21 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]ethanamine is sourced from PubChem (CID 66405437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).