(2R)-1-[4-[(1R)-1-hydroxy-2-methoxyethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol

C15H25NO4 — CID 12760476

IUPAC(2R)-1-[4-[(1R)-1-hydroxy-2-methoxyethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCOC[C@H](O)c1ccc(OC[C@H](O)CNC(C)C)cc1
InChIInChI=1S/C15H25NO4/c1-11(2)16-8-13(17)9-20-14-6-4-12(5-7-14)15(18)10-19-3/h4-7,11,13,15-18H,8-10H2,1-3H3/t13-,15+/m1/s1
InChIKeyOFRYBPCSEMMZHR-HIFRSBDPSA-N
MW283.37 g/mol
LogP1.10
Rot. Bonds9

About (2R)-1-[4-[(1R)-1-hydroxy-2-methoxyethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol

(2R)-1-[4-[(1R)-1-hydroxy-2-methoxyethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol (PubChem CID 12760476) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2R)-1-[4-[(1R)-1-hydroxy-2-methoxyethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[(1R)-1-hydroxy-2-methoxyethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
PubChem CID12760476
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name(2R)-1-[4-[(1R)-1-hydroxy-2-methoxyethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCOC[C@H](O)c1ccc(OC[C@H](O)CNC(C)C)cc1
InChIInChI=1S/C15H25NO4/c1-11(2)16-8-13(17)9-20-14-6-4-12(5-7-14)15(18)10-19-3/h4-7,11,13,15-18H,8-10H2,1-3H3/t13-,15+/m1/s1
InChIKeyOFRYBPCSEMMZHR-HIFRSBDPSA-N
XLogP1.10
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[4-[(1R)-1-hydroxy-2-methoxyethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol with MolForge

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Related Compounds

1-[4-(1-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 155667891
methanol;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 175047598
4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
CID 6328341
1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 16812220
1-[4-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 44537247
(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-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol;methylboronic acid
CID 22295643
1-[4-[cyclopropyl(methoxy)methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 21152244
1-(propan-2-ylamino)-3-[4-(3-propan-2-yloxypropoxy)phenoxy]propan-2-ol
CID 177126524

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(1R)-1-hydroxy-2-methoxyethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of (2R)-1-[4-[(1R)-1-hydroxy-2-methoxyethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol (CID 12760476) is (2R)-1-[4-[(1R)-1-hydroxy-2-methoxyethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-[4-[(1R)-1-hydroxy-2-methoxyethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for (2R)-1-[4-[(1R)-1-hydroxy-2-methoxyethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol is COC[C@H](O)c1ccc(OC[C@H](O)CNC(C)C)cc1.
What is the InChIKey of (2R)-1-[4-[(1R)-1-hydroxy-2-methoxyethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is OFRYBPCSEMMZHR-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H25NO4/c1-11(2)16-8-13(17)9-20-14-6-4-12(5-7-14)15(18)10-19-3/h4-7,11,13,15-18H,8-10H2,1-3H3/t13-,15+/m1/s1.
What are the key properties of (2R)-1-[4-[(1R)-1-hydroxy-2-methoxyethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol?
(2R)-1-[4-[(1R)-1-hydroxy-2-methoxyethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 283.37 g/mol, XLogP of 1.10, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[(1R)-1-hydroxy-2-methoxyethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 12760476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).