1-(2-ethyl-5-fluoro-3,4-dihydro-1H-naphthalen-2-yl)-N-methylethanimine

C15H20FN — CID 91252736

IUPAC1-(2-ethyl-5-fluoro-3,4-dihydro-1H-naphthalen-2-yl)-N-methylethanimine
SMILESCCC1(/C(C)=N/C)CCc2c(F)cccc2C1
InChIInChI=1S/C15H20FN/c1-4-15(11(2)17-3)9-8-13-12(10-15)6-5-7-14(13)16/h5-7H,4,8-10H2,1-3H3/b17-11+
InChIKeyUYDMFRFXHGUCFR-GZTJUZNOSA-N
MW233.33 g/mol
LogP3.80
Rot. Bonds2

About 1-(2-ethyl-5-fluoro-3,4-dihydro-1H-naphthalen-2-yl)-N-methylethanimine

1-(2-ethyl-5-fluoro-3,4-dihydro-1H-naphthalen-2-yl)-N-methylethanimine (PubChem CID 91252736) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is 1-(2-ethyl-5-fluoro-3,4-dihydro-1H-naphthalen-2-yl)-N-methylethanimine.

Molecular Properties

Compound Name1-(2-ethyl-5-fluoro-3,4-dihydro-1H-naphthalen-2-yl)-N-methylethanimine
PubChem CID91252736
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name1-(2-ethyl-5-fluoro-3,4-dihydro-1H-naphthalen-2-yl)-N-methylethanimine
SMILESCCC1(/C(C)=N/C)CCc2c(F)cccc2C1
InChIInChI=1S/C15H20FN/c1-4-15(11(2)17-3)9-8-13-12(10-15)6-5-7-14(13)16/h5-7H,4,8-10H2,1-3H3/b17-11+
InChIKeyUYDMFRFXHGUCFR-GZTJUZNOSA-N
XLogP3.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(2-ethyl-5-fluoro-3,4-dihydro-1H-naphthalen-2-yl)-N-methylethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-fluoro-3,4-dihydro-1H-naphthalen-2-yl)-N-methylethanimine?
The IUPAC name of 1-(2-ethyl-5-fluoro-3,4-dihydro-1H-naphthalen-2-yl)-N-methylethanimine (CID 91252736) is 1-(2-ethyl-5-fluoro-3,4-dihydro-1H-naphthalen-2-yl)-N-methylethanimine.
What is the SMILES notation for 1-(2-ethyl-5-fluoro-3,4-dihydro-1H-naphthalen-2-yl)-N-methylethanimine?
The canonical SMILES for 1-(2-ethyl-5-fluoro-3,4-dihydro-1H-naphthalen-2-yl)-N-methylethanimine is CCC1(/C(C)=N/C)CCc2c(F)cccc2C1.
What is the InChIKey of 1-(2-ethyl-5-fluoro-3,4-dihydro-1H-naphthalen-2-yl)-N-methylethanimine?
The InChIKey is UYDMFRFXHGUCFR-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H20FN/c1-4-15(11(2)17-3)9-8-13-12(10-15)6-5-7-14(13)16/h5-7H,4,8-10H2,1-3H3/b17-11+.
What are the key properties of 1-(2-ethyl-5-fluoro-3,4-dihydro-1H-naphthalen-2-yl)-N-methylethanimine?
1-(2-ethyl-5-fluoro-3,4-dihydro-1H-naphthalen-2-yl)-N-methylethanimine has a molecular weight of 233.33 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-fluoro-3,4-dihydro-1H-naphthalen-2-yl)-N-methylethanimine is sourced from PubChem (CID 91252736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).