2-[1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]ethanamine

C14H17BrN2O — CID 66406852

IUPAC2-[1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]ethanamine
SMILESNCCc1ccn(CCOc2ccc(Br)cc2)c1
InChIInChI=1S/C14H17BrN2O/c15-13-1-3-14(4-2-13)18-10-9-17-8-6-12(11-17)5-7-16/h1-4,6,8,11H,5,7,9-10,16H2
InChIKeySYWFRVBXJFQVPP-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.83
Rot. Bonds6

About 2-[1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]ethanamine

2-[1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]ethanamine (PubChem CID 66406852) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 2-[1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]ethanamine
PubChem CID66406852
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name2-[1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]ethanamine
SMILESNCCc1ccn(CCOc2ccc(Br)cc2)c1
InChIInChI=1S/C14H17BrN2O/c15-13-1-3-14(4-2-13)18-10-9-17-8-6-12(11-17)5-7-16/h1-4,6,8,11H,5,7,9-10,16H2
InChIKeySYWFRVBXJFQVPP-UHFFFAOYSA-N
XLogP2.83
TPSA40.18 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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]methanamine
CID 66408844
[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanamine
CID 66408847
1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]-2-methylpropan-1-amine
CID 79096865
1-[2-(4-bromophenoxy)ethyl]-3,4-dimethylpyrrole
CID 114273362
2-(1-propylpyrrol-3-yl)ethanamine
CID 66405428
2-[4-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 43253780
2-[1-(3-fluoropropyl)pyrrol-3-yl]ethanamine
CID 84653816
2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]ethanamine
CID 66405437
2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine
CID 138454042
[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanamine
CID 104565446
1-[2-(4-bromophenoxy)ethyl]pyrazole
CID 46739423
2-[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]ethanamine
CID 60874221

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]ethanamine?
The IUPAC name of 2-[1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]ethanamine (CID 66406852) is 2-[1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]ethanamine?
The canonical SMILES for 2-[1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]ethanamine is NCCc1ccn(CCOc2ccc(Br)cc2)c1.
What is the InChIKey of 2-[1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]ethanamine?
The InChIKey is SYWFRVBXJFQVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c15-13-1-3-14(4-2-13)18-10-9-17-8-6-12(11-17)5-7-16/h1-4,6,8,11H,5,7,9-10,16H2.
What are the key properties of 2-[1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]ethanamine?
2-[1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]ethanamine has a molecular weight of 309.21 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]ethanamine is sourced from PubChem (CID 66406852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).