3-ethoxy-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylcyclobutan-1-amine

C17H26FNO — CID 65167987

IUPAC3-ethoxy-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylcyclobutan-1-amine
SMILESCCOC1CC(NC(C)c2ccc(F)cc2)C1(C)CC
InChIInChI=1S/C17H26FNO/c1-5-17(4)15(11-16(17)20-6-2)19-12(3)13-7-9-14(18)10-8-13/h7-10,12,15-16,19H,5-6,11H2,1-4H3
InChIKeySYHGUBAGOJGGNQ-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.07
Rot. Bonds6

About 3-ethoxy-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylcyclobutan-1-amine

3-ethoxy-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylcyclobutan-1-amine (PubChem CID 65167987) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 3-ethoxy-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylcyclobutan-1-amine
PubChem CID65167987
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name3-ethoxy-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylcyclobutan-1-amine
SMILESCCOC1CC(NC(C)c2ccc(F)cc2)C1(C)CC
InChIInChI=1S/C17H26FNO/c1-5-17(4)15(11-16(17)20-6-2)19-12(3)13-7-9-14(18)10-8-13/h7-10,12,15-16,19H,5-6,11H2,1-4H3
InChIKeySYHGUBAGOJGGNQ-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylcyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylcyclobutan-1-amine (CID 65167987) is 3-ethoxy-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylcyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylcyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylcyclobutan-1-amine is CCOC1CC(NC(C)c2ccc(F)cc2)C1(C)CC.
What is the InChIKey of 3-ethoxy-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylcyclobutan-1-amine?
The InChIKey is SYHGUBAGOJGGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-5-17(4)15(11-16(17)20-6-2)19-12(3)13-7-9-14(18)10-8-13/h7-10,12,15-16,19H,5-6,11H2,1-4H3.
What are the key properties of 3-ethoxy-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylcyclobutan-1-amine?
3-ethoxy-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylcyclobutan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylcyclobutan-1-amine is sourced from PubChem (CID 65167987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).