(2R,3S)-3-(4-methoxyphenyl)-2-phenoxy-3-(propylamino)propan-1-ol

C19H25NO3 — CID 44583496

IUPAC(2R,3S)-3-(4-methoxyphenyl)-2-phenoxy-3-(propylamino)propan-1-ol
SMILESCCCN[C@@H](c1ccc(OC)cc1)[C@H](CO)Oc1ccccc1
InChIInChI=1S/C19H25NO3/c1-3-13-20-19(15-9-11-16(22-2)12-10-15)18(14-21)23-17-7-5-4-6-8-17/h4-12,18-21H,3,13-14H2,1-2H3/t18-,19-/m0/s1
InChIKeyQUAXUSDWBUYNLY-OALUTQOASA-N
MW315.41 g/mol
LogP3.18
Rot. Bonds9

About (2R,3S)-3-(4-methoxyphenyl)-2-phenoxy-3-(propylamino)propan-1-ol

(2R,3S)-3-(4-methoxyphenyl)-2-phenoxy-3-(propylamino)propan-1-ol (PubChem CID 44583496) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is (2R,3S)-3-(4-methoxyphenyl)-2-phenoxy-3-(propylamino)propan-1-ol.

Molecular Properties

Compound Name(2R,3S)-3-(4-methoxyphenyl)-2-phenoxy-3-(propylamino)propan-1-ol
PubChem CID44583496
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name(2R,3S)-3-(4-methoxyphenyl)-2-phenoxy-3-(propylamino)propan-1-ol
SMILESCCCN[C@@H](c1ccc(OC)cc1)[C@H](CO)Oc1ccccc1
InChIInChI=1S/C19H25NO3/c1-3-13-20-19(15-9-11-16(22-2)12-10-15)18(14-21)23-17-7-5-4-6-8-17/h4-12,18-21H,3,13-14H2,1-2H3/t18-,19-/m0/s1
InChIKeyQUAXUSDWBUYNLY-OALUTQOASA-N
XLogP3.18
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(4-methoxyphenyl)-2-phenoxy-3-(propylamino)propan-1-ol?
The IUPAC name of (2R,3S)-3-(4-methoxyphenyl)-2-phenoxy-3-(propylamino)propan-1-ol (CID 44583496) is (2R,3S)-3-(4-methoxyphenyl)-2-phenoxy-3-(propylamino)propan-1-ol.
What is the SMILES notation for (2R,3S)-3-(4-methoxyphenyl)-2-phenoxy-3-(propylamino)propan-1-ol?
The canonical SMILES for (2R,3S)-3-(4-methoxyphenyl)-2-phenoxy-3-(propylamino)propan-1-ol is CCCN[C@@H](c1ccc(OC)cc1)[C@H](CO)Oc1ccccc1.
What is the InChIKey of (2R,3S)-3-(4-methoxyphenyl)-2-phenoxy-3-(propylamino)propan-1-ol?
The InChIKey is QUAXUSDWBUYNLY-OALUTQOASA-N. The full InChI is InChI=1S/C19H25NO3/c1-3-13-20-19(15-9-11-16(22-2)12-10-15)18(14-21)23-17-7-5-4-6-8-17/h4-12,18-21H,3,13-14H2,1-2H3/t18-,19-/m0/s1.
What are the key properties of (2R,3S)-3-(4-methoxyphenyl)-2-phenoxy-3-(propylamino)propan-1-ol?
(2R,3S)-3-(4-methoxyphenyl)-2-phenoxy-3-(propylamino)propan-1-ol has a molecular weight of 315.41 g/mol, XLogP of 3.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(4-methoxyphenyl)-2-phenoxy-3-(propylamino)propan-1-ol is sourced from PubChem (CID 44583496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).