2-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]ethanamine

C12H21N3O — CID 83823084

IUPAC2-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]ethanamine
SMILESNCCc1cccn1CCN1CCOCC1
InChIInChI=1S/C12H21N3O/c13-4-3-12-2-1-5-15(12)7-6-14-8-10-16-11-9-14/h1-2,5H,3-4,6-11,13H2
InChIKeyOBUXAEANMDVQJF-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.32
Rot. Bonds5

About 2-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]ethanamine

2-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]ethanamine (PubChem CID 83823084) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]ethanamine
PubChem CID83823084
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]ethanamine
SMILESNCCc1cccn1CCN1CCOCC1
InChIInChI=1S/C12H21N3O/c13-4-3-12-2-1-5-15(12)7-6-14-8-10-16-11-9-14/h1-2,5H,3-4,6-11,13H2
InChIKeyOBUXAEANMDVQJF-UHFFFAOYSA-N
XLogP0.32
TPSA43.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methanamine
CID 66401352
1-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methylamino]propan-2-ol
CID 3537939
N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]heptan-1-amine
CID 4537540
(1R)-N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]-1-phenylethanamine
CID 7318399
2-[1-(2-methoxyethyl)pyrrol-2-yl]ethanamine
CID 66406663
2-[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]ethanamine
CID 114717654
2-[1-(3,3-difluorobutyl)pyrrol-2-yl]ethanamine
CID 84670674
4-[3-[1-[2-(3-methoxyphenoxy)ethyl]pyrrol-2-yl]propyl]morpholine
CID 170871078
2-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]ethanamine
CID 66404435
(4-chlorophenyl)-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methanone;hydrochloride
CID 138397986
[1-(2-morpholin-4-ylethyl)indol-3-yl]methanamine
CID 66407723
1-[2-[4-(3-aminopropyl)piperazin-1-yl]ethyl]pyridin-2-one
CID 82897279

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]ethanamine?
The IUPAC name of 2-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]ethanamine (CID 83823084) is 2-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]ethanamine?
The canonical SMILES for 2-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]ethanamine is NCCc1cccn1CCN1CCOCC1.
What is the InChIKey of 2-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]ethanamine?
The InChIKey is OBUXAEANMDVQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c13-4-3-12-2-1-5-15(12)7-6-14-8-10-16-11-9-14/h1-2,5H,3-4,6-11,13H2.
What are the key properties of 2-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]ethanamine?
2-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]ethanamine is sourced from PubChem (CID 83823084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).