(2R)-1-(4-morpholin-4-ylphenoxy)-3-(propan-2-ylamino)propan-2-ol

C16H26N2O3 — CID 125487728

IUPAC(2R)-1-(4-morpholin-4-ylphenoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NC[C@@H](O)COc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H26N2O3/c1-13(2)17-11-15(19)12-21-16-5-3-14(4-6-16)18-7-9-20-10-8-18/h3-6,13,15,17,19H,7-12H2,1-2H3/t15-/m1/s1
InChIKeyPFCVEZFESZAQHW-OAHLLOKOSA-N
MW294.40 g/mol
LogP1.26
Rot. Bonds7

About (2R)-1-(4-morpholin-4-ylphenoxy)-3-(propan-2-ylamino)propan-2-ol

(2R)-1-(4-morpholin-4-ylphenoxy)-3-(propan-2-ylamino)propan-2-ol (PubChem CID 125487728) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is (2R)-1-(4-morpholin-4-ylphenoxy)-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-morpholin-4-ylphenoxy)-3-(propan-2-ylamino)propan-2-ol
PubChem CID125487728
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name(2R)-1-(4-morpholin-4-ylphenoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NC[C@@H](O)COc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H26N2O3/c1-13(2)17-11-15(19)12-21-16-5-3-14(4-6-16)18-7-9-20-10-8-18/h3-6,13,15,17,19H,7-12H2,1-2H3/t15-/m1/s1
InChIKeyPFCVEZFESZAQHW-OAHLLOKOSA-N
XLogP1.26
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 12941066
1-morpholin-4-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol
CID 109416651
4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
CID 6328341
1-[4-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 44537247
1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 16812220
1-[4-(1-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 155667891
(2R)-1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 91927663
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
1-(4-bromophenoxy)-3-(propan-2-ylamino)propan-2-ol chloride
CID 46863817
(2S)-1-[4-(hydroxymethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 93481255
1-(4-ethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol
CID 83021074
1-(morpholin-4-ylamino)-3-phenoxypropan-2-ol
CID 83021932

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-morpholin-4-ylphenoxy)-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of (2R)-1-(4-morpholin-4-ylphenoxy)-3-(propan-2-ylamino)propan-2-ol (CID 125487728) is (2R)-1-(4-morpholin-4-ylphenoxy)-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-(4-morpholin-4-ylphenoxy)-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for (2R)-1-(4-morpholin-4-ylphenoxy)-3-(propan-2-ylamino)propan-2-ol is CC(C)NC[C@@H](O)COc1ccc(N2CCOCC2)cc1.
What is the InChIKey of (2R)-1-(4-morpholin-4-ylphenoxy)-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is PFCVEZFESZAQHW-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-13(2)17-11-15(19)12-21-16-5-3-14(4-6-16)18-7-9-20-10-8-18/h3-6,13,15,17,19H,7-12H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-1-(4-morpholin-4-ylphenoxy)-3-(propan-2-ylamino)propan-2-ol?
(2R)-1-(4-morpholin-4-ylphenoxy)-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 294.40 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-morpholin-4-ylphenoxy)-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 125487728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).