4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-one;hydrochloride

C13H20ClN3O3 — CID 70873276

IUPAC4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-one;hydrochloride
SMILESCl.NCC(O)CNc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C13H19N3O3.ClH/c14-7-12(17)8-15-10-1-3-11(4-2-10)16-5-6-19-9-13(16)18;/h1-4,12,15,17H,5-9,14H2;1H
InChIKeySOQXBVLFNGZAMJ-UHFFFAOYSA-N
MW301.77 g/mol
LogP0.20
Rot. Bonds5

About 4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-one;hydrochloride

4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-one;hydrochloride (PubChem CID 70873276) has the molecular formula C13H20ClN3O3 and a molecular weight of 301.77 g/mol. Its IUPAC name is 4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-one;hydrochloride.

Molecular Properties

Compound Name4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-one;hydrochloride
PubChem CID70873276
Molecular FormulaC13H20ClN3O3
Molecular Weight301.77 g/mol
Exact Mass301.12
IUPAC Name4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-one;hydrochloride
SMILESCl.NCC(O)CNc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C13H19N3O3.ClH/c14-7-12(17)8-15-10-1-3-11(4-2-10)16-5-6-19-9-13(16)18;/h1-4,12,15,17H,5-9,14H2;1H
InChIKeySOQXBVLFNGZAMJ-UHFFFAOYSA-N
XLogP0.20
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[[(2S)-2-hydroxybutyl]amino]phenyl]morpholin-3-one
CID 59515485
4-[4-[(3R)-4-amino-3-hydroxybutyl]phenyl]morpholin-3-one
CID 152799530
4-[4-(hydroxymethylamino)phenyl]morpholin-3-one
CID 70327805
4-[4-[(2-hydroxy-3-phenylmethoxypropyl)amino]phenyl]morpholin-3-one
CID 123840212
4-[4-[[(2S)-4-(4-aminophenyl)-2-hydroxy-4,4-diphenylbutyl]amino]phenyl]morpholin-3-one
CID 123546223
5-chloro-3-[2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide
CID 90258799
4-[4-(3-hydroxypropylamino)phenyl]morpholin-3-one
CID 163448135
bis[(2R)-1-chloro-3-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl] sulfate
CID 118377688
2-[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione;2-[[(2S)-oxiran-2-yl]methyl]isoindole-1,3-dione;hydrofluoride
CID 161499223
4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-ol
CID 123202839
5-chloro-N-[3-hydroxy-4-[4-(3-oxomorpholin-4-yl)anilino]butyl]thiophene-2-carboxamide
CID 123589878
2-[(2S)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione;2-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
CID 162184019

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-one;hydrochloride?
The IUPAC name of 4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-one;hydrochloride (CID 70873276) is 4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-one;hydrochloride.
What is the SMILES notation for 4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-one;hydrochloride?
The canonical SMILES for 4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-one;hydrochloride is Cl.NCC(O)CNc1ccc(N2CCOCC2=O)cc1.
What is the InChIKey of 4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-one;hydrochloride?
The InChIKey is SOQXBVLFNGZAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3.ClH/c14-7-12(17)8-15-10-1-3-11(4-2-10)16-5-6-19-9-13(16)18;/h1-4,12,15,17H,5-9,14H2;1H.
What are the key properties of 4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-one;hydrochloride?
4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-one;hydrochloride has a molecular weight of 301.77 g/mol, XLogP of 0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-one;hydrochloride is sourced from PubChem (CID 70873276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).