1-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methylamino]propan-2-ol

C14H25N3O2 — CID 3537939

IUPAC1-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methylamino]propan-2-ol
SMILESCC(O)CNCc1cccn1CCN1CCOCC1
InChIInChI=1S/C14H25N3O2/c1-13(18)11-15-12-14-3-2-4-17(14)6-5-16-7-9-19-10-8-16/h2-4,13,15,18H,5-12H2,1H3
InChIKeyZWYGGKZWPBKJKN-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.29
Rot. Bonds7

About 1-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methylamino]propan-2-ol

1-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methylamino]propan-2-ol (PubChem CID 3537939) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methylamino]propan-2-ol
PubChem CID3537939
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methylamino]propan-2-ol
SMILESCC(O)CNCc1cccn1CCN1CCOCC1
InChIInChI=1S/C14H25N3O2/c1-13(18)11-15-12-14-3-2-4-17(14)6-5-16-7-9-19-10-8-16/h2-4,13,15,18H,5-12H2,1H3
InChIKeyZWYGGKZWPBKJKN-UHFFFAOYSA-N
XLogP0.29
TPSA49.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methanamine
CID 66401352
1-[(1-ethylpyrrol-2-yl)methylamino]propan-2-ol
CID 66411513
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
1-(2-morpholin-4-ylethylamino)propan-2-ol
CID 43393555
2-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]ethanamine
CID 83823084
N-[[1-(2-piperidin-1-ylethyl)pyrrol-2-yl]methyl]propan-2-amine
CID 66401991
2-methyl-3-[(1-propylpyrrol-2-yl)methylamino]propan-1-ol
CID 66443446
N-[[1-(3-pyrrolidin-1-ylpropyl)pyrrol-2-yl]methyl]ethanamine
CID 66403308
5-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]pentan-1-ol
CID 66402617
2,2-difluoro-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 115405916
5-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]pentanenitrile
CID 66402630

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methylamino]propan-2-ol?
The IUPAC name of 1-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methylamino]propan-2-ol (CID 3537939) is 1-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methylamino]propan-2-ol.
What is the SMILES notation for 1-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methylamino]propan-2-ol?
The canonical SMILES for 1-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methylamino]propan-2-ol is CC(O)CNCc1cccn1CCN1CCOCC1.
What is the InChIKey of 1-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methylamino]propan-2-ol?
The InChIKey is ZWYGGKZWPBKJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-13(18)11-15-12-14-3-2-4-17(14)6-5-16-7-9-19-10-8-16/h2-4,13,15,18H,5-12H2,1H3.
What are the key properties of 1-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methylamino]propan-2-ol?
1-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methylamino]propan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methylamino]propan-2-ol is sourced from PubChem (CID 3537939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).