N-[3-(trifluoromethyl)phenyl]morpholin-4-amine

C11H13F3N2O — CID 154164269

IUPACN-[3-(trifluoromethyl)phenyl]morpholin-4-amine
SMILESFC(F)(F)c1cccc(NN2CCOCC2)c1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)9-2-1-3-10(8-9)15-16-4-6-17-7-5-16/h1-3,8,15H,4-7H2
InChIKeyZTOWEGQQXAESEZ-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.36
Rot. Bonds2

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

N-[3-(trifluoromethyl)phenyl]morpholin-4-amine (PubChem CID 154164269) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]morpholin-4-amine.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]morpholin-4-amine
PubChem CID154164269
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC NameN-[3-(trifluoromethyl)phenyl]morpholin-4-amine
SMILESFC(F)(F)c1cccc(NN2CCOCC2)c1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)9-2-1-3-10(8-9)15-16-4-6-17-7-5-16/h1-3,8,15H,4-7H2
InChIKeyZTOWEGQQXAESEZ-UHFFFAOYSA-N
XLogP2.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]morpholin-4-amine?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]morpholin-4-amine (CID 154164269) is N-[3-(trifluoromethyl)phenyl]morpholin-4-amine.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]morpholin-4-amine?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]morpholin-4-amine is FC(F)(F)c1cccc(NN2CCOCC2)c1.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]morpholin-4-amine?
The InChIKey is ZTOWEGQQXAESEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c12-11(13,14)9-2-1-3-10(8-9)15-16-4-6-17-7-5-16/h1-3,8,15H,4-7H2.
What are the key properties of N-[3-(trifluoromethyl)phenyl]morpholin-4-amine?
N-[3-(trifluoromethyl)phenyl]morpholin-4-amine has a molecular weight of 246.23 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]morpholin-4-amine is sourced from PubChem (CID 154164269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).