N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine

C10H20F3NO — CID 103214512

IUPACN-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine
SMILESCCNC(COCC(F)(F)F)CC(C)C
InChIInChI=1S/C10H20F3NO/c1-4-14-9(5-8(2)3)6-15-7-10(11,12)13/h8-9,14H,4-7H2,1-3H3
InChIKeyYBXVAPVIFIPKLO-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.59
Rot. Bonds7

About N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine

N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine (PubChem CID 103214512) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine
PubChem CID103214512
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC NameN-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine
SMILESCCNC(COCC(F)(F)F)CC(C)C
InChIInChI=1S/C10H20F3NO/c1-4-14-9(5-8(2)3)6-15-7-10(11,12)13/h8-9,14H,4-7H2,1-3H3
InChIKeyYBXVAPVIFIPKLO-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-Methylpropyl)morpholine
CID 20811826
(3S)-3-(2-methylpropyl)morpholine
CID 28064342
(4S)-4-isobutyl-2-(pentafluoroethyl)-1,3-oxazolidine
CID 11413942
Oxazolidine, 4-(2-methylpropyl)-2-(trifluoromethyl)-, (4S)-
CID 11481019
4-(2-Methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine
CID 68906346
(S)-4-isobutyl-2-trifluoromethyl-oxazolidine
CID 68906347
N-tert-butyl-2-(4,4-difluoro-5-methylhexoxy)-2-methylpropan-1-amine
CID 88973546
1,1,2-trifluoro-1-propoxy-N-propylpentan-2-amine
CID 141198660
1,1,1-trifluoro-3-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-2-amine
CID 141688309
1,1,1-trifluoro-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-2-amine
CID 155459777
molecular hydrogen;1,1,1-trifluoro-3-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-2-amine
CID 158718751
methane;1,1,1-trifluoro-3-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-2-amine
CID 159903328

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine?
The IUPAC name of N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine (CID 103214512) is N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine?
The canonical SMILES for N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine is CCNC(COCC(F)(F)F)CC(C)C.
What is the InChIKey of N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine?
The InChIKey is YBXVAPVIFIPKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-4-14-9(5-8(2)3)6-15-7-10(11,12)13/h8-9,14H,4-7H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine?
N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine has a molecular weight of 227.27 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine is sourced from PubChem (CID 103214512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).