2-(4-bromophenoxy)-1-(1-methylpyrrol-2-yl)ethanamine

C13H15BrN2O — CID 16641590

IUPAC2-(4-bromophenoxy)-1-(1-methylpyrrol-2-yl)ethanamine
SMILESCn1cccc1C(N)COc1ccc(Br)cc1
InChIInChI=1S/C13H15BrN2O/c1-16-8-2-3-13(16)12(15)9-17-11-6-4-10(14)5-7-11/h2-8,12H,9,15H2,1H3
InChIKeyIFNCXHYYINMSJH-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.87
Rot. Bonds4

About 2-(4-bromophenoxy)-1-(1-methylpyrrol-2-yl)ethanamine

2-(4-bromophenoxy)-1-(1-methylpyrrol-2-yl)ethanamine (PubChem CID 16641590) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-1-(1-methylpyrrol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenoxy)-1-(1-methylpyrrol-2-yl)ethanamine
PubChem CID16641590
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name2-(4-bromophenoxy)-1-(1-methylpyrrol-2-yl)ethanamine
SMILESCn1cccc1C(N)COc1ccc(Br)cc1
InChIInChI=1S/C13H15BrN2O/c1-16-8-2-3-13(16)12(15)9-17-11-6-4-10(14)5-7-11/h2-8,12H,9,15H2,1H3
InChIKeyIFNCXHYYINMSJH-UHFFFAOYSA-N
XLogP2.87
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)-1-phenylethanamine
CID 63771219
2-(4-bromophenoxy)-1-(2-methylphenyl)ethanamine
CID 117243728
2-(4-bromophenoxy)-1-(4-fluorophenyl)ethanamine
CID 82027726
2-amino-3-(4-bromophenoxy)propanoic acid
CID 65443957
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
(2S)-3-methyl-1-(4-phenylphenoxy)butan-2-amine
CID 39109994
1-bromo-4-(2,3-dimethoxypropoxy)benzene
CID 67740400
(2R)-1-(4-bromophenoxy)-N-methylpropan-2-amine
CID 161260305
(1R)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]propan-1-amine
CID 63367661
methoxy-(1-methylpyrrol-2-yl)methanol
CID 45087864
(1R)-2,2-difluoro-1-(1-methylpyrrol-2-yl)ethanamine;hydrochloride
CID 171243825

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-1-(1-methylpyrrol-2-yl)ethanamine?
The IUPAC name of 2-(4-bromophenoxy)-1-(1-methylpyrrol-2-yl)ethanamine (CID 16641590) is 2-(4-bromophenoxy)-1-(1-methylpyrrol-2-yl)ethanamine.
What is the SMILES notation for 2-(4-bromophenoxy)-1-(1-methylpyrrol-2-yl)ethanamine?
The canonical SMILES for 2-(4-bromophenoxy)-1-(1-methylpyrrol-2-yl)ethanamine is Cn1cccc1C(N)COc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-1-(1-methylpyrrol-2-yl)ethanamine?
The InChIKey is IFNCXHYYINMSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-16-8-2-3-13(16)12(15)9-17-11-6-4-10(14)5-7-11/h2-8,12H,9,15H2,1H3.
What are the key properties of 2-(4-bromophenoxy)-1-(1-methylpyrrol-2-yl)ethanamine?
2-(4-bromophenoxy)-1-(1-methylpyrrol-2-yl)ethanamine has a molecular weight of 295.18 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-1-(1-methylpyrrol-2-yl)ethanamine is sourced from PubChem (CID 16641590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).