N-[oxan-3-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine

C15H26F3NO — CID 107138706

IUPACN-[oxan-3-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
SMILESCCNC(C1CCC(C(F)(F)F)CC1)C1CCCOC1
InChIInChI=1S/C15H26F3NO/c1-2-19-14(12-4-3-9-20-10-12)11-5-7-13(8-6-11)15(16,17)18/h11-14,19H,2-10H2,1H3
InChIKeyAIGRZCIWZPAZLJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.76
Rot. Bonds4

About N-[oxan-3-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine

N-[oxan-3-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine (PubChem CID 107138706) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[oxan-3-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[oxan-3-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
PubChem CID107138706
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC NameN-[oxan-3-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
SMILESCCNC(C1CCC(C(F)(F)F)CC1)C1CCCOC1
InChIInChI=1S/C15H26F3NO/c1-2-19-14(12-4-3-9-20-10-12)11-5-7-13(8-6-11)15(16,17)18/h11-14,19H,2-10H2,1H3
InChIKeyAIGRZCIWZPAZLJ-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[oxan-4-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105147187
N-[cycloheptyl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105176328
N-[oxan-3-yl-(4-propylcyclohexyl)methyl]propan-1-amine
CID 107136453
N-[oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105147551
N-[cyclobutyl(oxan-4-yl)methyl]ethanamine
CID 64986695
N-[1,9-dioxaspiro[5.5]undecan-4-yl(oxan-3-yl)methyl]ethanamine
CID 79910522
N-[(1,1-dioxothian-2-yl)-(oxan-3-yl)methyl]ethanamine
CID 107138862
N-[(3-ethyl-1,4-dithian-2-yl)-(oxan-3-yl)methyl]ethanamine
CID 107136767
2-(ethylamino)-2-(oxan-3-yl)acetonitrile
CID 63741653
N-[3,4-dihydro-2H-chromen-3-yl(oxan-3-yl)methyl]ethanamine
CID 107136471
N-[oxan-3-yl-(2,3,4,5,6-pentafluorophenyl)methyl]ethanamine
CID 107139188
1-cyclohexyl-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105080029

Frequently Asked Questions

What is the IUPAC name of N-[oxan-3-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[oxan-3-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine (CID 107138706) is N-[oxan-3-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[oxan-3-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[oxan-3-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine is CCNC(C1CCC(C(F)(F)F)CC1)C1CCCOC1.
What is the InChIKey of N-[oxan-3-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The InChIKey is AIGRZCIWZPAZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c1-2-19-14(12-4-3-9-20-10-12)11-5-7-13(8-6-11)15(16,17)18/h11-14,19H,2-10H2,1H3.
What are the key properties of N-[oxan-3-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
N-[oxan-3-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine has a molecular weight of 293.37 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxan-3-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 107138706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).