N-ethyl-2-propyl-4-(trifluoromethyl)oxan-4-amine

C11H20F3NO — CID 66206592

IUPACN-ethyl-2-propyl-4-(trifluoromethyl)oxan-4-amine
SMILESCCCC1CC(NCC)(C(F)(F)F)CCO1
InChIInChI=1S/C11H20F3NO/c1-3-5-9-8-10(15-4-2,6-7-16-9)11(12,13)14/h9,15H,3-8H2,1-2H3
InChIKeyTYSQQYVHIFAOQS-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.88
Rot. Bonds4

About N-ethyl-2-propyl-4-(trifluoromethyl)oxan-4-amine

N-ethyl-2-propyl-4-(trifluoromethyl)oxan-4-amine (PubChem CID 66206592) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N-ethyl-2-propyl-4-(trifluoromethyl)oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-2-propyl-4-(trifluoromethyl)oxan-4-amine
PubChem CID66206592
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN-ethyl-2-propyl-4-(trifluoromethyl)oxan-4-amine
SMILESCCCC1CC(NCC)(C(F)(F)F)CCO1
InChIInChI=1S/C11H20F3NO/c1-3-5-9-8-10(15-4-2,6-7-16-9)11(12,13)14/h9,15H,3-8H2,1-2H3
InChIKeyTYSQQYVHIFAOQS-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-N-[3-(trifluoromethyl)cyclohexyl]oxan-4-amine
CID 121523407
3-(3-methylnonan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 129276996
4-[5-(2,2,2-Trifluoroethoxy)pentyl]piperidine
CID 142825207
N-butyl-5,5-difluoro-6-methoxy-4,7-dimethyloctan-1-amine
CID 146228722
N-[3,3-difluoro-5-(5-methyldodecan-5-yloxy)pentyl]-5-methyldodecan-5-amine
CID 156046168
2-[2-[(4,4-difluorocyclohexyl)amino]propyl]-N-methyl-4-(trifluoromethyl)oxan-4-amine
CID 169587954
4-(Difluoromethoxy)-2-propan-2-ylpiperidine
CID 170772139
N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 55095373
6-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 55095421
N-tert-butyl-4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 62530713
2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-2-amine
CID 62724587
2-propyl-N-[4-(trifluoromethyl)cyclohexyl]oxan-4-amine
CID 64100729

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-propyl-4-(trifluoromethyl)oxan-4-amine?
The IUPAC name of N-ethyl-2-propyl-4-(trifluoromethyl)oxan-4-amine (CID 66206592) is N-ethyl-2-propyl-4-(trifluoromethyl)oxan-4-amine.
What is the SMILES notation for N-ethyl-2-propyl-4-(trifluoromethyl)oxan-4-amine?
The canonical SMILES for N-ethyl-2-propyl-4-(trifluoromethyl)oxan-4-amine is CCCC1CC(NCC)(C(F)(F)F)CCO1.
What is the InChIKey of N-ethyl-2-propyl-4-(trifluoromethyl)oxan-4-amine?
The InChIKey is TYSQQYVHIFAOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-3-5-9-8-10(15-4-2,6-7-16-9)11(12,13)14/h9,15H,3-8H2,1-2H3.
What are the key properties of N-ethyl-2-propyl-4-(trifluoromethyl)oxan-4-amine?
N-ethyl-2-propyl-4-(trifluoromethyl)oxan-4-amine has a molecular weight of 239.28 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-propyl-4-(trifluoromethyl)oxan-4-amine is sourced from PubChem (CID 66206592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).