1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-(2-methylpropylamino)propan-2-ol

C12H23F3N2O — CID 113317535

IUPAC1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-(2-methylpropylamino)propan-2-ol
SMILESCC(C)CNCC(O)CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H23F3N2O/c1-9(2)5-16-6-11(18)7-17(10-3-4-10)8-12(13,14)15/h9-11,16,18H,3-8H2,1-2H3
InChIKeyVUIZATLUBCPVRD-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.62
Rot. Bonds8

About 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-(2-methylpropylamino)propan-2-ol

1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-(2-methylpropylamino)propan-2-ol (PubChem CID 113317535) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-(2-methylpropylamino)propan-2-ol.

Molecular Properties

Compound Name1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-(2-methylpropylamino)propan-2-ol
PubChem CID113317535
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-(2-methylpropylamino)propan-2-ol
SMILESCC(C)CNCC(O)CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H23F3N2O/c1-9(2)5-16-6-11(18)7-17(10-3-4-10)8-12(13,14)15/h9-11,16,18H,3-8H2,1-2H3
InChIKeyVUIZATLUBCPVRD-UHFFFAOYSA-N
XLogP1.62
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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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Related Compounds

di(propan-2-yl)-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]azanium
CID 7084602
di(propan-2-yl)-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium
CID 7084604
1-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 55011561
1-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-3-(propylamino)propan-2-ol
CID 55011608
1-(Cyclopropylamino)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 55011609
1-(Propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 55011610
1-(Propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 55011611
1-(Cyclopropylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 55011657
1-(Propan-2-ylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 55011658
1-[Propan-2-yl(2,2,2-trifluoroethyl)amino]-3-(propylamino)propan-2-ol
CID 55011659
1-(Cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 55011660
1-(Diethylamino)-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60710703

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-(2-methylpropylamino)propan-2-ol?
The IUPAC name of 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-(2-methylpropylamino)propan-2-ol (CID 113317535) is 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-(2-methylpropylamino)propan-2-ol.
What is the SMILES notation for 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-(2-methylpropylamino)propan-2-ol?
The canonical SMILES for 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-(2-methylpropylamino)propan-2-ol is CC(C)CNCC(O)CN(CC(F)(F)F)C1CC1.
What is the InChIKey of 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-(2-methylpropylamino)propan-2-ol?
The InChIKey is VUIZATLUBCPVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-9(2)5-16-6-11(18)7-17(10-3-4-10)8-12(13,14)15/h9-11,16,18H,3-8H2,1-2H3.
What are the key properties of 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-(2-methylpropylamino)propan-2-ol?
1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-(2-methylpropylamino)propan-2-ol has a molecular weight of 268.32 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-3-(2-methylpropylamino)propan-2-ol is sourced from PubChem (CID 113317535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).