N-ethyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine

C13H25F3N2O — CID 103059102

IUPACN-ethyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine
SMILESCCNC1CCOCC1CN(CC(F)(F)F)C(C)C
InChIInChI=1S/C13H25F3N2O/c1-4-17-12-5-6-19-8-11(12)7-18(10(2)3)9-13(14,15)16/h10-12,17H,4-9H2,1-3H3
InChIKeyAOTPICOYNJKFMW-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.27
Rot. Bonds6

About N-ethyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine

N-ethyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine (PubChem CID 103059102) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-ethyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine
PubChem CID103059102
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC NameN-ethyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine
SMILESCCNC1CCOCC1CN(CC(F)(F)F)C(C)C
InChIInChI=1S/C13H25F3N2O/c1-4-17-12-5-6-19-8-11(12)7-18(10(2)3)9-13(14,15)16/h10-12,17H,4-9H2,1-3H3
InChIKeyAOTPICOYNJKFMW-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine?
The IUPAC name of N-ethyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine (CID 103059102) is N-ethyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine.
What is the SMILES notation for N-ethyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine?
The canonical SMILES for N-ethyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine is CCNC1CCOCC1CN(CC(F)(F)F)C(C)C.
What is the InChIKey of N-ethyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine?
The InChIKey is AOTPICOYNJKFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-4-17-12-5-6-19-8-11(12)7-18(10(2)3)9-13(14,15)16/h10-12,17H,4-9H2,1-3H3.
What are the key properties of N-ethyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine?
N-ethyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine has a molecular weight of 282.35 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-amine is sourced from PubChem (CID 103059102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).