2-methyl-1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol

C12H25F3N2O — CID 66336525

IUPAC2-methyl-1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESCCCN(CC(F)(F)F)CC(C)(O)CNC(C)C
InChIInChI=1S/C12H25F3N2O/c1-5-6-17(9-12(13,14)15)8-11(4,18)7-16-10(2)3/h10,16,18H,5-9H2,1-4H3
InChIKeyFEFVZGMYVSYMSN-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.01
Rot. Bonds8

About 2-methyl-1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol

2-methyl-1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol (PubChem CID 66336525) has the molecular formula C12H25F3N2O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-methyl-1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol
PubChem CID66336525
Molecular FormulaC12H25F3N2O
Molecular Weight270.34 g/mol
Exact Mass270.19
IUPAC Name2-methyl-1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESCCCN(CC(F)(F)F)CC(C)(O)CNC(C)C
InChIInChI=1S/C12H25F3N2O/c1-5-6-17(9-12(13,14)15)8-11(4,18)7-16-10(2)3/h10,16,18H,5-9H2,1-4H3
InChIKeyFEFVZGMYVSYMSN-UHFFFAOYSA-N
XLogP2.01
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The IUPAC name of 2-methyl-1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol (CID 66336525) is 2-methyl-1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol is CCCN(CC(F)(F)F)CC(C)(O)CNC(C)C.
What is the InChIKey of 2-methyl-1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The InChIKey is FEFVZGMYVSYMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F3N2O/c1-5-6-17(9-12(13,14)15)8-11(4,18)7-16-10(2)3/h10,16,18H,5-9H2,1-4H3.
What are the key properties of 2-methyl-1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
2-methyl-1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol has a molecular weight of 270.34 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol is sourced from PubChem (CID 66336525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).