(2R,3S)-2-phenoxy-3-phenyl-3-(propylamino)propan-1-ol

C18H23NO2 — CID 44583459

IUPAC(2R,3S)-2-phenoxy-3-phenyl-3-(propylamino)propan-1-ol
SMILESCCCN[C@@H](c1ccccc1)[C@H](CO)Oc1ccccc1
InChIInChI=1S/C18H23NO2/c1-2-13-19-18(15-9-5-3-6-10-15)17(14-20)21-16-11-7-4-8-12-16/h3-12,17-20H,2,13-14H2,1H3/t17-,18-/m0/s1
InChIKeyMIDQNUVUXUKYOF-ROUUACIJSA-N
MW285.39 g/mol
LogP3.17
Rot. Bonds8

About (2R,3S)-2-phenoxy-3-phenyl-3-(propylamino)propan-1-ol

(2R,3S)-2-phenoxy-3-phenyl-3-(propylamino)propan-1-ol (PubChem CID 44583459) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (2R,3S)-2-phenoxy-3-phenyl-3-(propylamino)propan-1-ol.

Molecular Properties

Compound Name(2R,3S)-2-phenoxy-3-phenyl-3-(propylamino)propan-1-ol
PubChem CID44583459
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(2R,3S)-2-phenoxy-3-phenyl-3-(propylamino)propan-1-ol
SMILESCCCN[C@@H](c1ccccc1)[C@H](CO)Oc1ccccc1
InChIInChI=1S/C18H23NO2/c1-2-13-19-18(15-9-5-3-6-10-15)17(14-20)21-16-11-7-4-8-12-16/h3-12,17-20H,2,13-14H2,1H3/t17-,18-/m0/s1
InChIKeyMIDQNUVUXUKYOF-ROUUACIJSA-N
XLogP3.17
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-phenoxy-3-phenyl-3-(propylamino)propan-1-ol?
The IUPAC name of (2R,3S)-2-phenoxy-3-phenyl-3-(propylamino)propan-1-ol (CID 44583459) is (2R,3S)-2-phenoxy-3-phenyl-3-(propylamino)propan-1-ol.
What is the SMILES notation for (2R,3S)-2-phenoxy-3-phenyl-3-(propylamino)propan-1-ol?
The canonical SMILES for (2R,3S)-2-phenoxy-3-phenyl-3-(propylamino)propan-1-ol is CCCN[C@@H](c1ccccc1)[C@H](CO)Oc1ccccc1.
What is the InChIKey of (2R,3S)-2-phenoxy-3-phenyl-3-(propylamino)propan-1-ol?
The InChIKey is MIDQNUVUXUKYOF-ROUUACIJSA-N. The full InChI is InChI=1S/C18H23NO2/c1-2-13-19-18(15-9-5-3-6-10-15)17(14-20)21-16-11-7-4-8-12-16/h3-12,17-20H,2,13-14H2,1H3/t17-,18-/m0/s1.
What are the key properties of (2R,3S)-2-phenoxy-3-phenyl-3-(propylamino)propan-1-ol?
(2R,3S)-2-phenoxy-3-phenyl-3-(propylamino)propan-1-ol has a molecular weight of 285.39 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-phenoxy-3-phenyl-3-(propylamino)propan-1-ol is sourced from PubChem (CID 44583459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).