4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]oxan-4-amine

C14H18F3NO — CID 115758041

IUPAC4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]oxan-4-amine
SMILESCC1(NCc2cccc(C(F)(F)F)c2)CCOCC1
InChIInChI=1S/C14H18F3NO/c1-13(5-7-19-8-6-13)18-10-11-3-2-4-12(9-11)14(15,16)17/h2-4,9,18H,5-8,10H2,1H3
InChIKeyZQINBXMVJPYVFS-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.36
Rot. Bonds3

About 4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]oxan-4-amine

4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]oxan-4-amine (PubChem CID 115758041) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]oxan-4-amine.

Molecular Properties

Compound Name4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]oxan-4-amine
PubChem CID115758041
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]oxan-4-amine
SMILESCC1(NCc2cccc(C(F)(F)F)c2)CCOCC1
InChIInChI=1S/C14H18F3NO/c1-13(5-7-19-8-6-13)18-10-11-3-2-4-12(9-11)14(15,16)17/h2-4,9,18H,5-8,10H2,1H3
InChIKeyZQINBXMVJPYVFS-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]oxan-4-amine 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

1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclobutan-1-amine
CID 115765833
3-[[(4-methyloxan-4-yl)amino]methyl]benzoic acid
CID 103264154
1-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine
CID 106209964
4-(aminomethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120918176
N-benzyl-4-fluoro-1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexan-1-amine
CID 67054701
2,2-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine
CID 79865086
N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen
CID 145483676
1-methyl-N-[(3-methylphenyl)methyl]cyclopropan-1-amine
CID 115635136
4-methyl-N-[(4-phenylphenyl)methyl]oxan-4-amine
CID 115758046
N-[[3-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
CID 63331563
4-methyl-1-(oxan-4-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 59447830
N-[(1-methylsulfanylcyclobutyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 107267060

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]oxan-4-amine?
The IUPAC name of 4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]oxan-4-amine (CID 115758041) is 4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]oxan-4-amine.
What is the SMILES notation for 4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]oxan-4-amine?
The canonical SMILES for 4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]oxan-4-amine is CC1(NCc2cccc(C(F)(F)F)c2)CCOCC1.
What is the InChIKey of 4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]oxan-4-amine?
The InChIKey is ZQINBXMVJPYVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-13(5-7-19-8-6-13)18-10-11-3-2-4-12(9-11)14(15,16)17/h2-4,9,18H,5-8,10H2,1H3.
What are the key properties of 4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]oxan-4-amine?
4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]oxan-4-amine has a molecular weight of 273.30 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]oxan-4-amine is sourced from PubChem (CID 115758041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).