[2-(2-methylmorpholin-4-yl)-4-(trifluoromethyl)phenyl]methanamine

C13H17F3N2O — CID 169489143

IUPAC[2-(2-methylmorpholin-4-yl)-4-(trifluoromethyl)phenyl]methanamine
SMILESCC1CN(c2cc(C(F)(F)F)ccc2CN)CCO1
InChIInChI=1S/C13H17F3N2O/c1-9-8-18(4-5-19-9)12-6-11(13(14,15)16)3-2-10(12)7-17/h2-3,6,9H,4-5,7-8,17H2,1H3
InChIKeyRNCOTYFHJGCMMP-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.39
Rot. Bonds2

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

[2-(2-methylmorpholin-4-yl)-4-(trifluoromethyl)phenyl]methanamine (PubChem CID 169489143) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is [2-(2-methylmorpholin-4-yl)-4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(2-methylmorpholin-4-yl)-4-(trifluoromethyl)phenyl]methanamine
PubChem CID169489143
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name[2-(2-methylmorpholin-4-yl)-4-(trifluoromethyl)phenyl]methanamine
SMILESCC1CN(c2cc(C(F)(F)F)ccc2CN)CCO1
InChIInChI=1S/C13H17F3N2O/c1-9-8-18(4-5-19-9)12-6-11(13(14,15)16)3-2-10(12)7-17/h2-3,6,9H,4-5,7-8,17H2,1H3
InChIKeyRNCOTYFHJGCMMP-UHFFFAOYSA-N
XLogP2.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylmorpholin-4-yl)-4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [2-(2-methylmorpholin-4-yl)-4-(trifluoromethyl)phenyl]methanamine (CID 169489143) is [2-(2-methylmorpholin-4-yl)-4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [2-(2-methylmorpholin-4-yl)-4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [2-(2-methylmorpholin-4-yl)-4-(trifluoromethyl)phenyl]methanamine is CC1CN(c2cc(C(F)(F)F)ccc2CN)CCO1.
What is the InChIKey of [2-(2-methylmorpholin-4-yl)-4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is RNCOTYFHJGCMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-9-8-18(4-5-19-9)12-6-11(13(14,15)16)3-2-10(12)7-17/h2-3,6,9H,4-5,7-8,17H2,1H3.
What are the key properties of [2-(2-methylmorpholin-4-yl)-4-(trifluoromethyl)phenyl]methanamine?
[2-(2-methylmorpholin-4-yl)-4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 274.29 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylmorpholin-4-yl)-4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 169489143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).