2,2-diethoxy-N-[[4-(fluoromethyl)phenyl]methyl]ethanamine

C14H22FNO2 — CID 122496213

IUPAC2,2-diethoxy-N-[[4-(fluoromethyl)phenyl]methyl]ethanamine
SMILESCCOC(CNCc1ccc(CF)cc1)OCC
InChIInChI=1S/C14H22FNO2/c1-3-17-14(18-4-2)11-16-10-13-7-5-12(9-15)6-8-13/h5-8,14,16H,3-4,9-11H2,1-2H3
InChIKeyCKOPQTFJBWQGOZ-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.64
Rot. Bonds9

About 2,2-diethoxy-N-[[4-(fluoromethyl)phenyl]methyl]ethanamine

2,2-diethoxy-N-[[4-(fluoromethyl)phenyl]methyl]ethanamine (PubChem CID 122496213) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 2,2-diethoxy-N-[[4-(fluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2,2-diethoxy-N-[[4-(fluoromethyl)phenyl]methyl]ethanamine
PubChem CID122496213
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name2,2-diethoxy-N-[[4-(fluoromethyl)phenyl]methyl]ethanamine
SMILESCCOC(CNCc1ccc(CF)cc1)OCC
InChIInChI=1S/C14H22FNO2/c1-3-17-14(18-4-2)11-16-10-13-7-5-12(9-15)6-8-13/h5-8,14,16H,3-4,9-11H2,1-2H3
InChIKeyCKOPQTFJBWQGOZ-UHFFFAOYSA-N
XLogP2.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-N-[[4-(fluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of 2,2-diethoxy-N-[[4-(fluoromethyl)phenyl]methyl]ethanamine (CID 122496213) is 2,2-diethoxy-N-[[4-(fluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 2,2-diethoxy-N-[[4-(fluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 2,2-diethoxy-N-[[4-(fluoromethyl)phenyl]methyl]ethanamine is CCOC(CNCc1ccc(CF)cc1)OCC.
What is the InChIKey of 2,2-diethoxy-N-[[4-(fluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is CKOPQTFJBWQGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-3-17-14(18-4-2)11-16-10-13-7-5-12(9-15)6-8-13/h5-8,14,16H,3-4,9-11H2,1-2H3.
What are the key properties of 2,2-diethoxy-N-[[4-(fluoromethyl)phenyl]methyl]ethanamine?
2,2-diethoxy-N-[[4-(fluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 255.33 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-N-[[4-(fluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 122496213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).