(2R,3S)-3-phenyl-2-phenylmethoxy-3-(propan-2-ylamino)propan-1-ol

C19H25NO2 — CID 44583422

IUPAC(2R,3S)-3-phenyl-2-phenylmethoxy-3-(propan-2-ylamino)propan-1-ol
SMILESCC(C)N[C@@H](c1ccccc1)[C@H](CO)OCc1ccccc1
InChIInChI=1S/C19H25NO2/c1-15(2)20-19(17-11-7-4-8-12-17)18(13-21)22-14-16-9-5-3-6-10-16/h3-12,15,18-21H,13-14H2,1-2H3/t18-,19-/m0/s1
InChIKeyMVOMYULTUHRZNJ-OALUTQOASA-N
MW299.41 g/mol
LogP3.30
Rot. Bonds8

About (2R,3S)-3-phenyl-2-phenylmethoxy-3-(propan-2-ylamino)propan-1-ol

(2R,3S)-3-phenyl-2-phenylmethoxy-3-(propan-2-ylamino)propan-1-ol (PubChem CID 44583422) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is (2R,3S)-3-phenyl-2-phenylmethoxy-3-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name(2R,3S)-3-phenyl-2-phenylmethoxy-3-(propan-2-ylamino)propan-1-ol
PubChem CID44583422
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name(2R,3S)-3-phenyl-2-phenylmethoxy-3-(propan-2-ylamino)propan-1-ol
SMILESCC(C)N[C@@H](c1ccccc1)[C@H](CO)OCc1ccccc1
InChIInChI=1S/C19H25NO2/c1-15(2)20-19(17-11-7-4-8-12-17)18(13-21)22-14-16-9-5-3-6-10-16/h3-12,15,18-21H,13-14H2,1-2H3/t18-,19-/m0/s1
InChIKeyMVOMYULTUHRZNJ-OALUTQOASA-N
XLogP3.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-phenyl-2-phenylmethoxy-3-(propan-2-ylamino)propan-1-ol?
The IUPAC name of (2R,3S)-3-phenyl-2-phenylmethoxy-3-(propan-2-ylamino)propan-1-ol (CID 44583422) is (2R,3S)-3-phenyl-2-phenylmethoxy-3-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for (2R,3S)-3-phenyl-2-phenylmethoxy-3-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for (2R,3S)-3-phenyl-2-phenylmethoxy-3-(propan-2-ylamino)propan-1-ol is CC(C)N[C@@H](c1ccccc1)[C@H](CO)OCc1ccccc1.
What is the InChIKey of (2R,3S)-3-phenyl-2-phenylmethoxy-3-(propan-2-ylamino)propan-1-ol?
The InChIKey is MVOMYULTUHRZNJ-OALUTQOASA-N. The full InChI is InChI=1S/C19H25NO2/c1-15(2)20-19(17-11-7-4-8-12-17)18(13-21)22-14-16-9-5-3-6-10-16/h3-12,15,18-21H,13-14H2,1-2H3/t18-,19-/m0/s1.
What are the key properties of (2R,3S)-3-phenyl-2-phenylmethoxy-3-(propan-2-ylamino)propan-1-ol?
(2R,3S)-3-phenyl-2-phenylmethoxy-3-(propan-2-ylamino)propan-1-ol has a molecular weight of 299.41 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-phenyl-2-phenylmethoxy-3-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 44583422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).