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

C15H26F3NO — CID 105147187

IUPACN-[oxan-4-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
SMILESCCNC(C1CCOCC1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H26F3NO/c1-2-19-14(12-7-9-20-10-8-12)11-3-5-13(6-4-11)15(16,17)18/h11-14,19H,2-10H2,1H3
InChIKeyCKGSDUFWPIRKKR-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.76
Rot. Bonds4

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

N-[oxan-4-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine (PubChem CID 105147187) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[oxan-4-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[oxan-4-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
PubChem CID105147187
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC NameN-[oxan-4-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
SMILESCCNC(C1CCOCC1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H26F3NO/c1-2-19-14(12-7-9-20-10-8-12)11-3-5-13(6-4-11)15(16,17)18/h11-14,19H,2-10H2,1H3
InChIKeyCKGSDUFWPIRKKR-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

Analyze N-[oxan-4-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[oxan-3-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 107138706
N-[cycloheptyl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105176328
N-[cyclobutyl(oxan-4-yl)methyl]ethanamine
CID 64986695
N-[(3-methylcyclohexyl)-(oxan-4-yl)methyl]ethanamine
CID 63936484
1-(4-ethylcyclohexyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105155375
[(4-ethylcyclohexyl)-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105313107
N-[oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105147551
N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butan-1-amine
CID 105185029
N-[(4-butylcyclohexyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115855953
N-[(3-ethyl-1,4-dithian-2-yl)-(oxan-4-yl)methyl]ethanamine
CID 115387957
1-cyclohexyl-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105080029
1-cyclopropyl-N-ethyl-2-(oxan-4-yl)ethanamine
CID 62600215

Frequently Asked Questions

What is the IUPAC name of N-[oxan-4-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[oxan-4-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine (CID 105147187) is N-[oxan-4-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[oxan-4-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[oxan-4-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine is CCNC(C1CCOCC1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-[oxan-4-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The InChIKey is CKGSDUFWPIRKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c1-2-19-14(12-7-9-20-10-8-12)11-3-5-13(6-4-11)15(16,17)18/h11-14,19H,2-10H2,1H3.
What are the key properties of N-[oxan-4-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
N-[oxan-4-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-4-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 105147187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).