N-methyl-1-(4-methylmorpholin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine

C14H19F3N2O2 — CID 79094970

IUPACN-methyl-1-(4-methylmorpholin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine
SMILESCNC(c1ccccc1OC(F)(F)F)C1CN(C)CCO1
InChIInChI=1S/C14H19F3N2O2/c1-18-13(12-9-19(2)7-8-20-12)10-5-3-4-6-11(10)21-14(15,16)17/h3-6,12-13,18H,7-9H2,1-2H3
InChIKeyRSNWCVQPQSJPLX-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.18
Rot. Bonds4

About N-methyl-1-(4-methylmorpholin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine

N-methyl-1-(4-methylmorpholin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine (PubChem CID 79094970) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-methyl-1-(4-methylmorpholin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylmorpholin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine
PubChem CID79094970
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC NameN-methyl-1-(4-methylmorpholin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine
SMILESCNC(c1ccccc1OC(F)(F)F)C1CN(C)CCO1
InChIInChI=1S/C14H19F3N2O2/c1-18-13(12-9-19(2)7-8-20-12)10-5-3-4-6-11(10)21-14(15,16)17/h3-6,12-13,18H,7-9H2,1-2H3
InChIKeyRSNWCVQPQSJPLX-UHFFFAOYSA-N
XLogP2.18
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylmorpholin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of N-methyl-1-(4-methylmorpholin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine (CID 79094970) is N-methyl-1-(4-methylmorpholin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-(4-methylmorpholin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for N-methyl-1-(4-methylmorpholin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine is CNC(c1ccccc1OC(F)(F)F)C1CN(C)CCO1.
What is the InChIKey of N-methyl-1-(4-methylmorpholin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is RSNWCVQPQSJPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-18-13(12-9-19(2)7-8-20-12)10-5-3-4-6-11(10)21-14(15,16)17/h3-6,12-13,18H,7-9H2,1-2H3.
What are the key properties of N-methyl-1-(4-methylmorpholin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine?
N-methyl-1-(4-methylmorpholin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 304.31 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylmorpholin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 79094970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).