N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-2,2,2-trifluoro-N-methylethanamine

C12H23F3N2O — CID 62390964

IUPACN-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCCNCC1(CN(C)CC(F)(F)F)CCOCC1
InChIInChI=1S/C12H23F3N2O/c1-3-16-8-11(4-6-18-7-5-11)9-17(2)10-12(13,14)15/h16H,3-10H2,1-2H3
InChIKeyZCYOTXKPMFHPTE-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.89
Rot. Bonds6

About N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-2,2,2-trifluoro-N-methylethanamine

N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-2,2,2-trifluoro-N-methylethanamine (PubChem CID 62390964) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound NameN-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
PubChem CID62390964
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC NameN-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCCNCC1(CN(C)CC(F)(F)F)CCOCC1
InChIInChI=1S/C12H23F3N2O/c1-3-16-8-11(4-6-18-7-5-11)9-17(2)10-12(13,14)15/h16H,3-10H2,1-2H3
InChIKeyZCYOTXKPMFHPTE-UHFFFAOYSA-N
XLogP1.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-2,2,2-trifluoro-N-methylethanamine (CID 62390964) is N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-2,2,2-trifluoro-N-methylethanamine is CCNCC1(CN(C)CC(F)(F)F)CCOCC1.
What is the InChIKey of N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is ZCYOTXKPMFHPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-3-16-8-11(4-6-18-7-5-11)9-17(2)10-12(13,14)15/h16H,3-10H2,1-2H3.
What are the key properties of N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-2,2,2-trifluoro-N-methylethanamine?
N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 268.32 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 62390964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).