N-(2-fluoroethyl)-N,2-dimethoxy-1-phenylpropan-2-amine

C13H20FNO2 — CID 90237229

IUPACN-(2-fluoroethyl)-N,2-dimethoxy-1-phenylpropan-2-amine
SMILESCON(CCF)C(C)(Cc1ccccc1)OC
InChIInChI=1S/C13H20FNO2/c1-13(16-2,15(17-3)10-9-14)11-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChIKeyPYRSKCQYOZMERE-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.42
Rot. Bonds7

About N-(2-fluoroethyl)-N,2-dimethoxy-1-phenylpropan-2-amine

N-(2-fluoroethyl)-N,2-dimethoxy-1-phenylpropan-2-amine (PubChem CID 90237229) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is N-(2-fluoroethyl)-N,2-dimethoxy-1-phenylpropan-2-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-N,2-dimethoxy-1-phenylpropan-2-amine
PubChem CID90237229
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC NameN-(2-fluoroethyl)-N,2-dimethoxy-1-phenylpropan-2-amine
SMILESCON(CCF)C(C)(Cc1ccccc1)OC
InChIInChI=1S/C13H20FNO2/c1-13(16-2,15(17-3)10-9-14)11-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChIKeyPYRSKCQYOZMERE-UHFFFAOYSA-N
XLogP2.42
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-N,2-dimethoxy-1-phenylpropan-2-amine?
The IUPAC name of N-(2-fluoroethyl)-N,2-dimethoxy-1-phenylpropan-2-amine (CID 90237229) is N-(2-fluoroethyl)-N,2-dimethoxy-1-phenylpropan-2-amine.
What is the SMILES notation for N-(2-fluoroethyl)-N,2-dimethoxy-1-phenylpropan-2-amine?
The canonical SMILES for N-(2-fluoroethyl)-N,2-dimethoxy-1-phenylpropan-2-amine is CON(CCF)C(C)(Cc1ccccc1)OC.
What is the InChIKey of N-(2-fluoroethyl)-N,2-dimethoxy-1-phenylpropan-2-amine?
The InChIKey is PYRSKCQYOZMERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-13(16-2,15(17-3)10-9-14)11-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3.
What are the key properties of N-(2-fluoroethyl)-N,2-dimethoxy-1-phenylpropan-2-amine?
N-(2-fluoroethyl)-N,2-dimethoxy-1-phenylpropan-2-amine has a molecular weight of 241.31 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-N,2-dimethoxy-1-phenylpropan-2-amine is sourced from PubChem (CID 90237229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).