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

C9H16F3NO — CID 66204754

IUPACN-ethyl-2-methyl-4-(trifluoromethyl)oxan-4-amine
SMILESCCNC1(C(F)(F)F)CCOC(C)C1
InChIInChI=1S/C9H16F3NO/c1-3-13-8(9(10,11)12)4-5-14-7(2)6-8/h7,13H,3-6H2,1-2H3
InChIKeyMTCNAQJLGCSQNL-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.10
Rot. Bonds2

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

N-ethyl-2-methyl-4-(trifluoromethyl)oxan-4-amine (PubChem CID 66204754) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is N-ethyl-2-methyl-4-(trifluoromethyl)oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-4-(trifluoromethyl)oxan-4-amine
PubChem CID66204754
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC NameN-ethyl-2-methyl-4-(trifluoromethyl)oxan-4-amine
SMILESCCNC1(C(F)(F)F)CCOC(C)C1
InChIInChI=1S/C9H16F3NO/c1-3-13-8(9(10,11)12)4-5-14-7(2)6-8/h7,13H,3-6H2,1-2H3
InChIKeyMTCNAQJLGCSQNL-UHFFFAOYSA-N
XLogP2.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-(trifluoromethyl)oxan-4-amine
CID 66204557
N-propan-2-yl-4-(trifluoromethyl)oxan-4-amine
CID 146534819
N-[[6-(trifluoromethyl)oxan-3-yl]methyl]ethanamine
CID 156872224
N-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 55083389
3,3,3-trifluoro-N-methyl-1-(oxan-4-yl)propan-1-amine
CID 63935673
N-ethyl-3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine
CID 63935674
3,3,3-trifluoro-1-(oxan-4-yl)-N-propylpropan-1-amine
CID 63935675
2-ethyl-N-[4-(trifluoromethyl)cyclohexyl]oxan-4-amine
CID 64100929
2-methyl-N-[4-(trifluoromethyl)cyclohexyl]oxan-4-amine
CID 64100930
2-ethyl-N-[3-(trifluoromethyl)cyclohexyl]oxan-4-amine
CID 64101168
2-methyl-N-[3-(trifluoromethyl)cyclohexyl]oxan-4-amine
CID 64101169
2-ethyl-N-[2-(trifluoromethyl)cyclohexyl]oxan-4-amine
CID 64101736

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-4-(trifluoromethyl)oxan-4-amine?
The IUPAC name of N-ethyl-2-methyl-4-(trifluoromethyl)oxan-4-amine (CID 66204754) is N-ethyl-2-methyl-4-(trifluoromethyl)oxan-4-amine.
What is the SMILES notation for N-ethyl-2-methyl-4-(trifluoromethyl)oxan-4-amine?
The canonical SMILES for N-ethyl-2-methyl-4-(trifluoromethyl)oxan-4-amine is CCNC1(C(F)(F)F)CCOC(C)C1.
What is the InChIKey of N-ethyl-2-methyl-4-(trifluoromethyl)oxan-4-amine?
The InChIKey is MTCNAQJLGCSQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-3-13-8(9(10,11)12)4-5-14-7(2)6-8/h7,13H,3-6H2,1-2H3.
What are the key properties of N-ethyl-2-methyl-4-(trifluoromethyl)oxan-4-amine?
N-ethyl-2-methyl-4-(trifluoromethyl)oxan-4-amine has a molecular weight of 211.23 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-4-(trifluoromethyl)oxan-4-amine is sourced from PubChem (CID 66204754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).