(1R,2R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-(3-morpholin-4-ylphenyl)propan-1-ol

C20H24Cl2N2O2 — CID 118675698

IUPAC(1R,2R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-(3-morpholin-4-ylphenyl)propan-1-ol
SMILESCNC[C@@H](c1ccc(Cl)c(Cl)c1)[C@@H](O)c1cccc(N2CCOCC2)c1
InChIInChI=1S/C20H24Cl2N2O2/c1-23-13-17(14-5-6-18(21)19(22)12-14)20(25)15-3-2-4-16(11-15)24-7-9-26-10-8-24/h2-6,11-12,17,20,23,25H,7-10,13H2,1H3/t17-,20-/m0/s1
InChIKeyNVUFPEMKOKRIFD-PXNSSMCTSA-N
MW395.33 g/mol
LogP3.87
Rot. Bonds6

About (1R,2R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-(3-morpholin-4-ylphenyl)propan-1-ol

(1R,2R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-(3-morpholin-4-ylphenyl)propan-1-ol (PubChem CID 118675698) has the molecular formula C20H24Cl2N2O2 and a molecular weight of 395.33 g/mol. Its IUPAC name is (1R,2R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-(3-morpholin-4-ylphenyl)propan-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-(3-morpholin-4-ylphenyl)propan-1-ol
PubChem CID118675698
Molecular FormulaC20H24Cl2N2O2
Molecular Weight395.33 g/mol
Exact Mass394.12
IUPAC Name(1R,2R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-(3-morpholin-4-ylphenyl)propan-1-ol
SMILESCNC[C@@H](c1ccc(Cl)c(Cl)c1)[C@@H](O)c1cccc(N2CCOCC2)c1
InChIInChI=1S/C20H24Cl2N2O2/c1-23-13-17(14-5-6-18(21)19(22)12-14)20(25)15-3-2-4-16(11-15)24-7-9-26-10-8-24/h2-6,11-12,17,20,23,25H,7-10,13H2,1H3/t17-,20-/m0/s1
InChIKeyNVUFPEMKOKRIFD-PXNSSMCTSA-N
XLogP3.87
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-(3-morpholin-4-ylphenyl)propan-1-ol?
The IUPAC name of (1R,2R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-(3-morpholin-4-ylphenyl)propan-1-ol (CID 118675698) is (1R,2R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-(3-morpholin-4-ylphenyl)propan-1-ol.
What is the SMILES notation for (1R,2R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-(3-morpholin-4-ylphenyl)propan-1-ol?
The canonical SMILES for (1R,2R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-(3-morpholin-4-ylphenyl)propan-1-ol is CNC[C@@H](c1ccc(Cl)c(Cl)c1)[C@@H](O)c1cccc(N2CCOCC2)c1.
What is the InChIKey of (1R,2R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-(3-morpholin-4-ylphenyl)propan-1-ol?
The InChIKey is NVUFPEMKOKRIFD-PXNSSMCTSA-N. The full InChI is InChI=1S/C20H24Cl2N2O2/c1-23-13-17(14-5-6-18(21)19(22)12-14)20(25)15-3-2-4-16(11-15)24-7-9-26-10-8-24/h2-6,11-12,17,20,23,25H,7-10,13H2,1H3/t17-,20-/m0/s1.
What are the key properties of (1R,2R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-(3-morpholin-4-ylphenyl)propan-1-ol?
(1R,2R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-(3-morpholin-4-ylphenyl)propan-1-ol has a molecular weight of 395.33 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-(3-morpholin-4-ylphenyl)propan-1-ol is sourced from PubChem (CID 118675698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).