3-ethoxy-1-(2-fluorophenyl)-N-methylbutan-2-amine

C13H20FNO — CID 64533184

IUPAC3-ethoxy-1-(2-fluorophenyl)-N-methylbutan-2-amine
SMILESCCOC(C)C(Cc1ccccc1F)NC
InChIInChI=1S/C13H20FNO/c1-4-16-10(2)13(15-3)9-11-7-5-6-8-12(11)14/h5-8,10,13,15H,4,9H2,1-3H3
InChIKeyCFOLUULNIATWAU-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.38
Rot. Bonds6

About 3-ethoxy-1-(2-fluorophenyl)-N-methylbutan-2-amine

3-ethoxy-1-(2-fluorophenyl)-N-methylbutan-2-amine (PubChem CID 64533184) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-ethoxy-1-(2-fluorophenyl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name3-ethoxy-1-(2-fluorophenyl)-N-methylbutan-2-amine
PubChem CID64533184
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name3-ethoxy-1-(2-fluorophenyl)-N-methylbutan-2-amine
SMILESCCOC(C)C(Cc1ccccc1F)NC
InChIInChI=1S/C13H20FNO/c1-4-16-10(2)13(15-3)9-11-7-5-6-8-12(11)14/h5-8,10,13,15H,4,9H2,1-3H3
InChIKeyCFOLUULNIATWAU-UHFFFAOYSA-N
XLogP2.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-2-amine
CID 114347916
3-ethoxy-1-(5-fluoro-2-methylphenyl)-N-methylbutan-2-amine
CID 105373925
1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-ethylbutan-2-amine
CID 112653738
3-ethyl-1-(2-fluorophenyl)-N-methylheptan-2-amine
CID 63527234
3-ethoxy-1-(3-fluorophenyl)-N-methylbutan-2-amine
CID 64532588
3-[(2-fluorophenyl)methoxy]-N-methylbutan-2-amine
CID 63935715
1-(2-chloro-3-fluorophenyl)-3-ethoxy-N,4-dimethylpentan-2-amine
CID 116721172
[3-ethoxy-1-(2-fluorophenyl)-4,4-dimethylpentan-2-yl]hydrazine
CID 105273741
3-ethoxy-1-(5-ethylthiophen-2-yl)-N-methylbutan-2-amine
CID 64539860
3-ethoxy-N,4-dimethyl-1-(2-methylphenyl)pentan-2-amine
CID 116721266
1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)-N-propylpropan-2-amine
CID 116723827
1-(5-chloro-2-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine
CID 103049120

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(2-fluorophenyl)-N-methylbutan-2-amine?
The IUPAC name of 3-ethoxy-1-(2-fluorophenyl)-N-methylbutan-2-amine (CID 64533184) is 3-ethoxy-1-(2-fluorophenyl)-N-methylbutan-2-amine.
What is the SMILES notation for 3-ethoxy-1-(2-fluorophenyl)-N-methylbutan-2-amine?
The canonical SMILES for 3-ethoxy-1-(2-fluorophenyl)-N-methylbutan-2-amine is CCOC(C)C(Cc1ccccc1F)NC.
What is the InChIKey of 3-ethoxy-1-(2-fluorophenyl)-N-methylbutan-2-amine?
The InChIKey is CFOLUULNIATWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-4-16-10(2)13(15-3)9-11-7-5-6-8-12(11)14/h5-8,10,13,15H,4,9H2,1-3H3.
What are the key properties of 3-ethoxy-1-(2-fluorophenyl)-N-methylbutan-2-amine?
3-ethoxy-1-(2-fluorophenyl)-N-methylbutan-2-amine has a molecular weight of 225.31 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(2-fluorophenyl)-N-methylbutan-2-amine is sourced from PubChem (CID 64533184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).