[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methanamine

C12H15F3N2O — CID 66633203

IUPAC[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methanamine
SMILESNCc1ccc(N2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)10-7-9(8-16)1-2-11(10)17-3-5-18-6-4-17/h1-2,7H,3-6,8,16H2
InChIKeyHUMNJNOLSMIJRU-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.00
Rot. Bonds2

About [4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methanamine

[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methanamine (PubChem CID 66633203) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is [4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methanamine
PubChem CID66633203
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methanamine
SMILESNCc1ccc(N2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)10-7-9(8-16)1-2-11(10)17-3-5-18-6-4-17/h1-2,7H,3-6,8,16H2
InChIKeyHUMNJNOLSMIJRU-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methanamine (CID 66633203) is [4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methanamine is NCc1ccc(N2CCOCC2)c(C(F)(F)F)c1.
What is the InChIKey of [4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is HUMNJNOLSMIJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)10-7-9(8-16)1-2-11(10)17-3-5-18-6-4-17/h1-2,7H,3-6,8,16H2.
What are the key properties of [4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methanamine?
[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 260.26 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 66633203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).