(2S)-1-(dimethylamino)-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol

C12H23F3N2O — CID 99784563

IUPAC(2S)-1-(dimethylamino)-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
SMILESCN(C)C[C@@H](O)CNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2O/c1-17(2)8-11(18)7-16-10-5-3-9(4-6-10)12(13,14)15/h9-11,16,18H,3-8H2,1-2H3/t9?,10?,11-/m0/s1
InChIKeyDJRHRTWRGWGHTB-ILDUYXDCSA-N
MW268.32 g/mol
LogP1.62
Rot. Bonds5

About (2S)-1-(dimethylamino)-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol

(2S)-1-(dimethylamino)-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol (PubChem CID 99784563) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is (2S)-1-(dimethylamino)-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(dimethylamino)-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
PubChem CID99784563
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name(2S)-1-(dimethylamino)-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
SMILESCN(C)C[C@@H](O)CNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2O/c1-17(2)8-11(18)7-16-10-5-3-9(4-6-10)12(13,14)15/h9-11,16,18H,3-8H2,1-2H3/t9?,10?,11-/m0/s1
InChIKeyDJRHRTWRGWGHTB-ILDUYXDCSA-N
XLogP1.62
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(dimethylamino)-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol?
The IUPAC name of (2S)-1-(dimethylamino)-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol (CID 99784563) is (2S)-1-(dimethylamino)-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-(dimethylamino)-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-(dimethylamino)-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol is CN(C)C[C@@H](O)CNC1CCC(C(F)(F)F)CC1.
What is the InChIKey of (2S)-1-(dimethylamino)-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol?
The InChIKey is DJRHRTWRGWGHTB-ILDUYXDCSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-17(2)8-11(18)7-16-10-5-3-9(4-6-10)12(13,14)15/h9-11,16,18H,3-8H2,1-2H3/t9?,10?,11-/m0/s1.
What are the key properties of (2S)-1-(dimethylamino)-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol?
(2S)-1-(dimethylamino)-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol has a molecular weight of 268.32 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(dimethylamino)-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol is sourced from PubChem (CID 99784563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).