(2R)-1-(dimethylamino)-2-methyl-3-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol

C13H25F3N2O — CID 124670823

IUPAC(2R)-1-(dimethylamino)-2-methyl-3-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
SMILESCN(C)C[C@](C)(O)CN[C@@H]1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C13H25F3N2O/c1-12(19,9-18(2)3)8-17-11-6-4-5-10(7-11)13(14,15)16/h10-11,17,19H,4-9H2,1-3H3/t10-,11-,12-/m1/s1
InChIKeyRCAUWWZBSYDJHZ-IJLUTSLNSA-N
MW282.35 g/mol
LogP2.01
Rot. Bonds5

About (2R)-1-(dimethylamino)-2-methyl-3-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol

(2R)-1-(dimethylamino)-2-methyl-3-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol (PubChem CID 124670823) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is (2R)-1-(dimethylamino)-2-methyl-3-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(dimethylamino)-2-methyl-3-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
PubChem CID124670823
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name(2R)-1-(dimethylamino)-2-methyl-3-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
SMILESCN(C)C[C@](C)(O)CN[C@@H]1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C13H25F3N2O/c1-12(19,9-18(2)3)8-17-11-6-4-5-10(7-11)13(14,15)16/h10-11,17,19H,4-9H2,1-3H3/t10-,11-,12-/m1/s1
InChIKeyRCAUWWZBSYDJHZ-IJLUTSLNSA-N
XLogP2.01
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(dimethylamino)-2-methyl-3-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(dimethylamino)-2-methyl-3-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol?
The IUPAC name of (2R)-1-(dimethylamino)-2-methyl-3-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol (CID 124670823) is (2R)-1-(dimethylamino)-2-methyl-3-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-(dimethylamino)-2-methyl-3-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-(dimethylamino)-2-methyl-3-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol is CN(C)C[C@](C)(O)CN[C@@H]1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of (2R)-1-(dimethylamino)-2-methyl-3-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol?
The InChIKey is RCAUWWZBSYDJHZ-IJLUTSLNSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-12(19,9-18(2)3)8-17-11-6-4-5-10(7-11)13(14,15)16/h10-11,17,19H,4-9H2,1-3H3/t10-,11-,12-/m1/s1.
What are the key properties of (2R)-1-(dimethylamino)-2-methyl-3-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol?
(2R)-1-(dimethylamino)-2-methyl-3-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol has a molecular weight of 282.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(dimethylamino)-2-methyl-3-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol is sourced from PubChem (CID 124670823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).