N,N-dimethyl-1-[(2S)-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-2-yl]methanamine

C11H21F3N2O2 — CID 95332225

IUPACN,N-dimethyl-1-[(2S)-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-2-yl]methanamine
SMILESCN(C)C[C@H]1CN(CCOCC(F)(F)F)CCO1
InChIInChI=1S/C11H21F3N2O2/c1-15(2)7-10-8-16(4-6-18-10)3-5-17-9-11(12,13)14/h10H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyAXBDTKRTLVLUIA-JTQLQIEISA-N
MW270.29 g/mol
LogP0.83
Rot. Bonds6

About N,N-dimethyl-1-[(2S)-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-2-yl]methanamine

N,N-dimethyl-1-[(2S)-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-2-yl]methanamine (PubChem CID 95332225) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N,N-dimethyl-1-[(2S)-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(2S)-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-2-yl]methanamine
PubChem CID95332225
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC NameN,N-dimethyl-1-[(2S)-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-2-yl]methanamine
SMILESCN(C)C[C@H]1CN(CCOCC(F)(F)F)CCO1
InChIInChI=1S/C11H21F3N2O2/c1-15(2)7-10-8-16(4-6-18-10)3-5-17-9-11(12,13)14/h10H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyAXBDTKRTLVLUIA-JTQLQIEISA-N
XLogP0.83
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,N-dimethyl-1-[(2S)-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(2S)-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-2-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[(2S)-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-2-yl]methanamine (CID 95332225) is N,N-dimethyl-1-[(2S)-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-2-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[(2S)-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-2-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[(2S)-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-2-yl]methanamine is CN(C)C[C@H]1CN(CCOCC(F)(F)F)CCO1.
What is the InChIKey of N,N-dimethyl-1-[(2S)-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-2-yl]methanamine?
The InChIKey is AXBDTKRTLVLUIA-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-15(2)7-10-8-16(4-6-18-10)3-5-17-9-11(12,13)14/h10H,3-9H2,1-2H3/t10-/m0/s1.
What are the key properties of N,N-dimethyl-1-[(2S)-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-2-yl]methanamine?
N,N-dimethyl-1-[(2S)-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-2-yl]methanamine has a molecular weight of 270.29 g/mol, XLogP of 0.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(2S)-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 95332225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).