N,N-dimethyl-3-morpholin-4-yl-3-[4-(trifluoromethyl)phenyl]propan-1-amine

C16H23F3N2O — CID 118714025

IUPACN,N-dimethyl-3-morpholin-4-yl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
SMILESCN(C)CCC(c1ccc(C(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C16H23F3N2O/c1-20(2)8-7-15(21-9-11-22-12-10-21)13-3-5-14(6-4-13)16(17,18)19/h3-6,15H,7-12H2,1-2H3
InChIKeyGLFCAUWDGGEFFN-UHFFFAOYSA-N
MW316.37 g/mol
LogP3.03
Rot. Bonds5

About N,N-dimethyl-3-morpholin-4-yl-3-[4-(trifluoromethyl)phenyl]propan-1-amine

N,N-dimethyl-3-morpholin-4-yl-3-[4-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 118714025) has the molecular formula C16H23F3N2O and a molecular weight of 316.37 g/mol. Its IUPAC name is N,N-dimethyl-3-morpholin-4-yl-3-[4-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-morpholin-4-yl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID118714025
Molecular FormulaC16H23F3N2O
Molecular Weight316.37 g/mol
Exact Mass316.18
IUPAC NameN,N-dimethyl-3-morpholin-4-yl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
SMILESCN(C)CCC(c1ccc(C(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C16H23F3N2O/c1-20(2)8-7-15(21-9-11-22-12-10-21)13-3-5-14(6-4-13)16(17,18)19/h3-6,15H,7-12H2,1-2H3
InChIKeyGLFCAUWDGGEFFN-UHFFFAOYSA-N
XLogP3.03
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-morpholin-4-yl-3-[4-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-morpholin-4-yl-3-[4-(trifluoromethyl)phenyl]propan-1-amine (CID 118714025) is N,N-dimethyl-3-morpholin-4-yl-3-[4-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-morpholin-4-yl-3-[4-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-morpholin-4-yl-3-[4-(trifluoromethyl)phenyl]propan-1-amine is CN(C)CCC(c1ccc(C(F)(F)F)cc1)N1CCOCC1.
What is the InChIKey of N,N-dimethyl-3-morpholin-4-yl-3-[4-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is GLFCAUWDGGEFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O/c1-20(2)8-7-15(21-9-11-22-12-10-21)13-3-5-14(6-4-13)16(17,18)19/h3-6,15H,7-12H2,1-2H3.
What are the key properties of N,N-dimethyl-3-morpholin-4-yl-3-[4-(trifluoromethyl)phenyl]propan-1-amine?
N,N-dimethyl-3-morpholin-4-yl-3-[4-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 316.37 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-morpholin-4-yl-3-[4-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 118714025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).