4-(aminomethyl)-N-[4-(trifluoromethyl)phenyl]oxan-4-amine

C13H17F3N2O — CID 106298388

IUPAC4-(aminomethyl)-N-[4-(trifluoromethyl)phenyl]oxan-4-amine
SMILESNCC1(Nc2ccc(C(F)(F)F)cc2)CCOCC1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)10-1-3-11(4-2-10)18-12(9-17)5-7-19-8-6-12/h1-4,18H,5-9,17H2
InChIKeyYKSHMCUMLCCILB-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.63
Rot. Bonds3

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

4-(aminomethyl)-N-[4-(trifluoromethyl)phenyl]oxan-4-amine (PubChem CID 106298388) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[4-(trifluoromethyl)phenyl]oxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-[4-(trifluoromethyl)phenyl]oxan-4-amine
PubChem CID106298388
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name4-(aminomethyl)-N-[4-(trifluoromethyl)phenyl]oxan-4-amine
SMILESNCC1(Nc2ccc(C(F)(F)F)cc2)CCOCC1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)10-1-3-11(4-2-10)18-12(9-17)5-7-19-8-6-12/h1-4,18H,5-9,17H2
InChIKeyYKSHMCUMLCCILB-UHFFFAOYSA-N
XLogP2.63
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(4-fluorophenyl)oxan-4-amine
CID 65376671
4-(aminomethyl)-N-(4-chlorophenyl)oxepan-4-amine
CID 65383827
3-(aminomethyl)-N-(4-methylphenyl)oxolan-3-amine
CID 65378588
3-[[4-(aminomethyl)oxan-4-yl]amino]phenol
CID 105479234
4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)oxan-4-amine
CID 114839044
[1-[4-(trifluoromethyl)anilino]cyclohexyl]methanol
CID 62649108
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(trifluoromethyl)aniline
CID 113313720
[4-(4-aminoanilino)oxan-4-yl]methanol
CID 106296805
4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)oxan-4-amine
CID 107573137
1-(aminomethyl)-N-[3-chloro-5-(trifluoromethyl)phenyl]cycloheptan-1-amine
CID 116699208
N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-4-chloroaniline
CID 65384687
4-(aminomethyl)-N-(4-fluorophenyl)piperidin-4-amine
CID 105480872

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[4-(trifluoromethyl)phenyl]oxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-[4-(trifluoromethyl)phenyl]oxan-4-amine (CID 106298388) is 4-(aminomethyl)-N-[4-(trifluoromethyl)phenyl]oxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-[4-(trifluoromethyl)phenyl]oxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-[4-(trifluoromethyl)phenyl]oxan-4-amine is NCC1(Nc2ccc(C(F)(F)F)cc2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[4-(trifluoromethyl)phenyl]oxan-4-amine?
The InChIKey is YKSHMCUMLCCILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c14-13(15,16)10-1-3-11(4-2-10)18-12(9-17)5-7-19-8-6-12/h1-4,18H,5-9,17H2.
What are the key properties of 4-(aminomethyl)-N-[4-(trifluoromethyl)phenyl]oxan-4-amine?
4-(aminomethyl)-N-[4-(trifluoromethyl)phenyl]oxan-4-amine has a molecular weight of 274.29 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[4-(trifluoromethyl)phenyl]oxan-4-amine is sourced from PubChem (CID 106298388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).