4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-ol

C13H21N3O3 — CID 123202839

IUPAC4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-ol
SMILESNCC(O)CNc1ccc(N2CCOCC2O)cc1
InChIInChI=1S/C13H21N3O3/c14-7-12(17)8-15-10-1-3-11(4-2-10)16-5-6-19-9-13(16)18/h1-4,12-13,15,17-18H,5-9,14H2
InChIKeyZLWOEAAATVDUQP-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.43
Rot. Bonds5

About 4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-ol

4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-ol (PubChem CID 123202839) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-ol.

Molecular Properties

Compound Name4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-ol
PubChem CID123202839
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-ol
SMILESNCC(O)CNc1ccc(N2CCOCC2O)cc1
InChIInChI=1S/C13H21N3O3/c14-7-12(17)8-15-10-1-3-11(4-2-10)16-5-6-19-9-13(16)18/h1-4,12-13,15,17-18H,5-9,14H2
InChIKeyZLWOEAAATVDUQP-UHFFFAOYSA-N
XLogP-0.43
TPSA90.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-ol?
The IUPAC name of 4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-ol (CID 123202839) is 4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-ol.
What is the SMILES notation for 4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-ol?
The canonical SMILES for 4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-ol is NCC(O)CNc1ccc(N2CCOCC2O)cc1.
What is the InChIKey of 4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-ol?
The InChIKey is ZLWOEAAATVDUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c14-7-12(17)8-15-10-1-3-11(4-2-10)16-5-6-19-9-13(16)18/h1-4,12-13,15,17-18H,5-9,14H2.
What are the key properties of 4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-ol?
4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-ol has a molecular weight of 267.33 g/mol, XLogP of -0.43, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-ol is sourced from PubChem (CID 123202839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).