(1R,2R)-3-phenoxy-1-phenyl-1-(propan-2-ylamino)propan-2-ol;hydrochloride

C18H24ClNO2 — CID 90675136

IUPAC(1R,2R)-3-phenoxy-1-phenyl-1-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCC(C)N[C@H](c1ccccc1)[C@@H](O)COc1ccccc1.Cl
InChIInChI=1S/C18H23NO2.ClH/c1-14(2)19-18(15-9-5-3-6-10-15)17(20)13-21-16-11-7-4-8-12-16;/h3-12,14,17-20H,13H2,1-2H3;1H/t17-,18+;/m0./s1
InChIKeySSYBFFVUAGGHNW-CJRXIRLBSA-N
MW321.85 g/mol
LogP3.59
Rot. Bonds7

About (1R,2R)-3-phenoxy-1-phenyl-1-(propan-2-ylamino)propan-2-ol;hydrochloride

(1R,2R)-3-phenoxy-1-phenyl-1-(propan-2-ylamino)propan-2-ol;hydrochloride (PubChem CID 90675136) has the molecular formula C18H24ClNO2 and a molecular weight of 321.85 g/mol. Its IUPAC name is (1R,2R)-3-phenoxy-1-phenyl-1-(propan-2-ylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2R)-3-phenoxy-1-phenyl-1-(propan-2-ylamino)propan-2-ol;hydrochloride
PubChem CID90675136
Molecular FormulaC18H24ClNO2
Molecular Weight321.85 g/mol
Exact Mass321.15
IUPAC Name(1R,2R)-3-phenoxy-1-phenyl-1-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCC(C)N[C@H](c1ccccc1)[C@@H](O)COc1ccccc1.Cl
InChIInChI=1S/C18H23NO2.ClH/c1-14(2)19-18(15-9-5-3-6-10-15)17(20)13-21-16-11-7-4-8-12-16;/h3-12,14,17-20H,13H2,1-2H3;1H/t17-,18+;/m0./s1
InChIKeySSYBFFVUAGGHNW-CJRXIRLBSA-N
XLogP3.59
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-3-phenoxy-1-phenyl-1-(propan-2-ylamino)propan-2-ol;hydrochloride?
The IUPAC name of (1R,2R)-3-phenoxy-1-phenyl-1-(propan-2-ylamino)propan-2-ol;hydrochloride (CID 90675136) is (1R,2R)-3-phenoxy-1-phenyl-1-(propan-2-ylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2R)-3-phenoxy-1-phenyl-1-(propan-2-ylamino)propan-2-ol;hydrochloride?
The canonical SMILES for (1R,2R)-3-phenoxy-1-phenyl-1-(propan-2-ylamino)propan-2-ol;hydrochloride is CC(C)N[C@H](c1ccccc1)[C@@H](O)COc1ccccc1.Cl.
What is the InChIKey of (1R,2R)-3-phenoxy-1-phenyl-1-(propan-2-ylamino)propan-2-ol;hydrochloride?
The InChIKey is SSYBFFVUAGGHNW-CJRXIRLBSA-N. The full InChI is InChI=1S/C18H23NO2.ClH/c1-14(2)19-18(15-9-5-3-6-10-15)17(20)13-21-16-11-7-4-8-12-16;/h3-12,14,17-20H,13H2,1-2H3;1H/t17-,18+;/m0./s1.
What are the key properties of (1R,2R)-3-phenoxy-1-phenyl-1-(propan-2-ylamino)propan-2-ol;hydrochloride?
(1R,2R)-3-phenoxy-1-phenyl-1-(propan-2-ylamino)propan-2-ol;hydrochloride has a molecular weight of 321.85 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-3-phenoxy-1-phenyl-1-(propan-2-ylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 90675136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).