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

C13H25F3N2O — CID 104844816

IUPAC1-(dimethylamino)-2-methyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
SMILESCN(C)CC(C)(O)CNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H25F3N2O/c1-12(19,9-18(2)3)8-17-11-6-4-10(5-7-11)13(14,15)16/h10-11,17,19H,4-9H2,1-3H3
InChIKeyVZDNGKYSCQOPAN-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.01
Rot. Bonds5

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

1-(dimethylamino)-2-methyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol (PubChem CID 104844816) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-(dimethylamino)-2-methyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-2-methyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
PubChem CID104844816
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name1-(dimethylamino)-2-methyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
SMILESCN(C)CC(C)(O)CNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H25F3N2O/c1-12(19,9-18(2)3)8-17-11-6-4-10(5-7-11)13(14,15)16/h10-11,17,19H,4-9H2,1-3H3
InChIKeyVZDNGKYSCQOPAN-UHFFFAOYSA-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 1-(dimethylamino)-2-methyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-methyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-2-methyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol (CID 104844816) is 1-(dimethylamino)-2-methyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-2-methyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-2-methyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol is CN(C)CC(C)(O)CNC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(dimethylamino)-2-methyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol?
The InChIKey is VZDNGKYSCQOPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-12(19,9-18(2)3)8-17-11-6-4-10(5-7-11)13(14,15)16/h10-11,17,19H,4-9H2,1-3H3.
What are the key properties of 1-(dimethylamino)-2-methyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol?
1-(dimethylamino)-2-methyl-3-[[4-(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 1-(dimethylamino)-2-methyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol is sourced from PubChem (CID 104844816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).