[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine

C13H17F3N2O — CID 18933393

IUPAC[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine
SMILESNCC1CN(Cc2ccc(C(F)(F)F)cc2)CCO1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)11-3-1-10(2-4-11)8-18-5-6-19-12(7-17)9-18/h1-4,12H,5-9,17H2
InChIKeyDLIORBZKGWYGOI-UHFFFAOYSA-N
MW274.29 g/mol
LogP1.86
Rot. Bonds3

About [4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine

[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine (PubChem CID 18933393) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is [4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine
PubChem CID18933393
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine
SMILESNCC1CN(Cc2ccc(C(F)(F)F)cc2)CCO1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)11-3-1-10(2-4-11)8-18-5-6-19-12(7-17)9-18/h1-4,12H,5-9,17H2
InChIKeyDLIORBZKGWYGOI-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine?
The IUPAC name of [4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine (CID 18933393) is [4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine?
The canonical SMILES for [4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine is NCC1CN(Cc2ccc(C(F)(F)F)cc2)CCO1.
What is the InChIKey of [4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine?
The InChIKey is DLIORBZKGWYGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c14-13(15,16)11-3-1-10(2-4-11)8-18-5-6-19-12(7-17)9-18/h1-4,12H,5-9,17H2.
What are the key properties of [4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine?
[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine has a molecular weight of 274.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 18933393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).