(2S,3S)-2-(3-chlorophenyl)-5,5-dimethyl-3-propylmorpholin-2-ol

C15H22ClNO2 — CID 46837923

IUPAC(2S,3S)-2-(3-chlorophenyl)-5,5-dimethyl-3-propylmorpholin-2-ol
SMILESCCC[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO2/c1-4-6-13-15(18,19-10-14(2,3)17-13)11-7-5-8-12(16)9-11/h5,7-9,13,17-18H,4,6,10H2,1-3H3/t13-,15-/m0/s1
InChIKeyZWMHSADWUIOURG-ZFWWWQNUSA-N
MW283.80 g/mol
LogP3.05
Rot. Bonds3

About (2S,3S)-2-(3-chlorophenyl)-5,5-dimethyl-3-propylmorpholin-2-ol

(2S,3S)-2-(3-chlorophenyl)-5,5-dimethyl-3-propylmorpholin-2-ol (PubChem CID 46837923) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is (2S,3S)-2-(3-chlorophenyl)-5,5-dimethyl-3-propylmorpholin-2-ol.

Molecular Properties

Compound Name(2S,3S)-2-(3-chlorophenyl)-5,5-dimethyl-3-propylmorpholin-2-ol
PubChem CID46837923
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name(2S,3S)-2-(3-chlorophenyl)-5,5-dimethyl-3-propylmorpholin-2-ol
SMILESCCC[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO2/c1-4-6-13-15(18,19-10-14(2,3)17-13)11-7-5-8-12(16)9-11/h5,7-9,13,17-18H,4,6,10H2,1-3H3/t13-,15-/m0/s1
InChIKeyZWMHSADWUIOURG-ZFWWWQNUSA-N
XLogP3.05
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(3-chlorophenyl)-5,5-dimethyl-3-propylmorpholin-2-ol?
The IUPAC name of (2S,3S)-2-(3-chlorophenyl)-5,5-dimethyl-3-propylmorpholin-2-ol (CID 46837923) is (2S,3S)-2-(3-chlorophenyl)-5,5-dimethyl-3-propylmorpholin-2-ol.
What is the SMILES notation for (2S,3S)-2-(3-chlorophenyl)-5,5-dimethyl-3-propylmorpholin-2-ol?
The canonical SMILES for (2S,3S)-2-(3-chlorophenyl)-5,5-dimethyl-3-propylmorpholin-2-ol is CCC[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1.
What is the InChIKey of (2S,3S)-2-(3-chlorophenyl)-5,5-dimethyl-3-propylmorpholin-2-ol?
The InChIKey is ZWMHSADWUIOURG-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-4-6-13-15(18,19-10-14(2,3)17-13)11-7-5-8-12(16)9-11/h5,7-9,13,17-18H,4,6,10H2,1-3H3/t13-,15-/m0/s1.
What are the key properties of (2S,3S)-2-(3-chlorophenyl)-5,5-dimethyl-3-propylmorpholin-2-ol?
(2S,3S)-2-(3-chlorophenyl)-5,5-dimethyl-3-propylmorpholin-2-ol has a molecular weight of 283.80 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(3-chlorophenyl)-5,5-dimethyl-3-propylmorpholin-2-ol is sourced from PubChem (CID 46837923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).