N-[3-[(2R)-4-(2-fluoroethyl)morpholin-2-yl]propyl]-2-methylpropan-2-amine

C13H27FN2O — CID 166926466

IUPACN-[3-[(2R)-4-(2-fluoroethyl)morpholin-2-yl]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCC[C@@H]1CN(CCF)CCO1
InChIInChI=1S/C13H27FN2O/c1-13(2,3)15-7-4-5-12-11-16(8-6-14)9-10-17-12/h12,15H,4-11H2,1-3H3/t12-/m1/s1
InChIKeyGBEKADDMYOVWHX-GFCCVEGCSA-N
MW246.37 g/mol
LogP1.83
Rot. Bonds6

About N-[3-[(2R)-4-(2-fluoroethyl)morpholin-2-yl]propyl]-2-methylpropan-2-amine

N-[3-[(2R)-4-(2-fluoroethyl)morpholin-2-yl]propyl]-2-methylpropan-2-amine (PubChem CID 166926466) has the molecular formula C13H27FN2O and a molecular weight of 246.37 g/mol. Its IUPAC name is N-[3-[(2R)-4-(2-fluoroethyl)morpholin-2-yl]propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-[(2R)-4-(2-fluoroethyl)morpholin-2-yl]propyl]-2-methylpropan-2-amine
PubChem CID166926466
Molecular FormulaC13H27FN2O
Molecular Weight246.37 g/mol
Exact Mass246.21
IUPAC NameN-[3-[(2R)-4-(2-fluoroethyl)morpholin-2-yl]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCC[C@@H]1CN(CCF)CCO1
InChIInChI=1S/C13H27FN2O/c1-13(2,3)15-7-4-5-12-11-16(8-6-14)9-10-17-12/h12,15H,4-11H2,1-3H3/t12-/m1/s1
InChIKeyGBEKADDMYOVWHX-GFCCVEGCSA-N
XLogP1.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-4-(2-fluoroethyl)morpholin-2-yl]propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-[(2R)-4-(2-fluoroethyl)morpholin-2-yl]propyl]-2-methylpropan-2-amine (CID 166926466) is N-[3-[(2R)-4-(2-fluoroethyl)morpholin-2-yl]propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-[(2R)-4-(2-fluoroethyl)morpholin-2-yl]propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-[(2R)-4-(2-fluoroethyl)morpholin-2-yl]propyl]-2-methylpropan-2-amine is CC(C)(C)NCCC[C@@H]1CN(CCF)CCO1.
What is the InChIKey of N-[3-[(2R)-4-(2-fluoroethyl)morpholin-2-yl]propyl]-2-methylpropan-2-amine?
The InChIKey is GBEKADDMYOVWHX-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H27FN2O/c1-13(2,3)15-7-4-5-12-11-16(8-6-14)9-10-17-12/h12,15H,4-11H2,1-3H3/t12-/m1/s1.
What are the key properties of N-[3-[(2R)-4-(2-fluoroethyl)morpholin-2-yl]propyl]-2-methylpropan-2-amine?
N-[3-[(2R)-4-(2-fluoroethyl)morpholin-2-yl]propyl]-2-methylpropan-2-amine has a molecular weight of 246.37 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-4-(2-fluoroethyl)morpholin-2-yl]propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 166926466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).