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

C11H21F3N2O — CID 64825685

IUPAC2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propan-1-ol
SMILESCCN(CC(F)(F)F)CC(CO)(NC)C1CC1
InChIInChI=1S/C11H21F3N2O/c1-3-16(7-11(12,13)14)6-10(8-17,15-2)9-4-5-9/h9,15,17H,3-8H2,1-2H3
InChIKeyRZBQHIPAPSGFIW-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.23
Rot. Bonds7

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

2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propan-1-ol (PubChem CID 64825685) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propan-1-ol
PubChem CID64825685
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propan-1-ol
SMILESCCN(CC(F)(F)F)CC(CO)(NC)C1CC1
InChIInChI=1S/C11H21F3N2O/c1-3-16(7-11(12,13)14)6-10(8-17,15-2)9-4-5-9/h9,15,17H,3-8H2,1-2H3
InChIKeyRZBQHIPAPSGFIW-UHFFFAOYSA-N
XLogP1.23
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propan-1-ol (CID 64825685) is 2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propan-1-ol is CCN(CC(F)(F)F)CC(CO)(NC)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propan-1-ol?
The InChIKey is RZBQHIPAPSGFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-3-16(7-11(12,13)14)6-10(8-17,15-2)9-4-5-9/h9,15,17H,3-8H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propan-1-ol?
2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propan-1-ol has a molecular weight of 254.30 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propan-1-ol is sourced from PubChem (CID 64825685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).