[2-(1-aminoethyl)morpholin-4-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone

C13H19F2N3O2 — CID 114610612

IUPAC[2-(1-aminoethyl)morpholin-4-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone
SMILESCC(N)C1CN(C(=O)c2cccn2CC(F)F)CCO1
InChIInChI=1S/C13H19F2N3O2/c1-9(16)11-7-18(5-6-20-11)13(19)10-3-2-4-17(10)8-12(14)15/h2-4,9,11-12H,5-8,16H2,1H3
InChIKeyVOLMWLKVQNNNFP-UHFFFAOYSA-N
MW287.31 g/mol
LogP0.94
Rot. Bonds4

About [2-(1-aminoethyl)morpholin-4-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone

[2-(1-aminoethyl)morpholin-4-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone (PubChem CID 114610612) has the molecular formula C13H19F2N3O2 and a molecular weight of 287.31 g/mol. Its IUPAC name is [2-(1-aminoethyl)morpholin-4-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)morpholin-4-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone
PubChem CID114610612
Molecular FormulaC13H19F2N3O2
Molecular Weight287.31 g/mol
Exact Mass287.14
IUPAC Name[2-(1-aminoethyl)morpholin-4-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone
SMILESCC(N)C1CN(C(=O)c2cccn2CC(F)F)CCO1
InChIInChI=1S/C13H19F2N3O2/c1-9(16)11-7-18(5-6-20-11)13(19)10-3-2-4-17(10)8-12(14)15/h2-4,9,11-12H,5-8,16H2,1H3
InChIKeyVOLMWLKVQNNNFP-UHFFFAOYSA-N
XLogP0.94
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-aminoethyl)morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
CID 81485227
[2-(1-aminoethyl)morpholin-4-yl]-(3,5-difluorophenyl)methanone
CID 81483994
[2-(1-aminoethyl)morpholin-4-yl]-(2-methylsulfanylphenyl)methanone
CID 81484165
[2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-2-fluorophenyl)methanone
CID 107956289
1-[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-2-(2-fluorophenyl)ethanone
CID 99849466
[2-(1-aminoethyl)morpholin-4-yl]-pyridin-4-ylmethanone
CID 81484704
[1-(2,2-difluoroethyl)pyrrol-2-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 114610241
[2-(1-aminoethyl)morpholin-4-yl]-(4-iodophenyl)methanone
CID 81484348
[2-(1-aminoethyl)morpholin-4-yl]-naphthalen-2-ylmethanone
CID 81485463
[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2-chloro-4,5-difluorophenyl)methanone
CID 99716788
[2-(1-aminoethyl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 81485136
[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-5-fluorophenyl)methanone
CID 81485236

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone?
The IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone (CID 114610612) is [2-(1-aminoethyl)morpholin-4-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone.
What is the SMILES notation for [2-(1-aminoethyl)morpholin-4-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone?
The canonical SMILES for [2-(1-aminoethyl)morpholin-4-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone is CC(N)C1CN(C(=O)c2cccn2CC(F)F)CCO1.
What is the InChIKey of [2-(1-aminoethyl)morpholin-4-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone?
The InChIKey is VOLMWLKVQNNNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O2/c1-9(16)11-7-18(5-6-20-11)13(19)10-3-2-4-17(10)8-12(14)15/h2-4,9,11-12H,5-8,16H2,1H3.
What are the key properties of [2-(1-aminoethyl)morpholin-4-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone?
[2-(1-aminoethyl)morpholin-4-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone has a molecular weight of 287.31 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)morpholin-4-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone is sourced from PubChem (CID 114610612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).