N-[[2-(2-ethylcyclohexyl)oxy-3-fluorophenyl]methyl]ethanamine

C17H26FNO — CID 115953347

IUPACN-[[2-(2-ethylcyclohexyl)oxy-3-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cccc(F)c1OC1CCCCC1CC
InChIInChI=1S/C17H26FNO/c1-3-13-8-5-6-11-16(13)20-17-14(12-19-4-2)9-7-10-15(17)18/h7,9-10,13,16,19H,3-6,8,11-12H2,1-2H3
InChIKeyVTNYTMCUEXWODA-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.28
Rot. Bonds6

About N-[[2-(2-ethylcyclohexyl)oxy-3-fluorophenyl]methyl]ethanamine

N-[[2-(2-ethylcyclohexyl)oxy-3-fluorophenyl]methyl]ethanamine (PubChem CID 115953347) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[[2-(2-ethylcyclohexyl)oxy-3-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-ethylcyclohexyl)oxy-3-fluorophenyl]methyl]ethanamine
PubChem CID115953347
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC NameN-[[2-(2-ethylcyclohexyl)oxy-3-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cccc(F)c1OC1CCCCC1CC
InChIInChI=1S/C17H26FNO/c1-3-13-8-5-6-11-16(13)20-17-14(12-19-4-2)9-7-10-15(17)18/h7,9-10,13,16,19H,3-6,8,11-12H2,1-2H3
InChIKeyVTNYTMCUEXWODA-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-(2-ethylcyclohexyl)oxy-3-fluorophenyl]methyl]ethanamine 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 N-[[2-(2-ethylcyclohexyl)oxy-3-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-ethylcyclohexyl)oxy-3-fluorophenyl]methyl]ethanamine (CID 115953347) is N-[[2-(2-ethylcyclohexyl)oxy-3-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-ethylcyclohexyl)oxy-3-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-ethylcyclohexyl)oxy-3-fluorophenyl]methyl]ethanamine is CCNCc1cccc(F)c1OC1CCCCC1CC.
What is the InChIKey of N-[[2-(2-ethylcyclohexyl)oxy-3-fluorophenyl]methyl]ethanamine?
The InChIKey is VTNYTMCUEXWODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-3-13-8-5-6-11-16(13)20-17-14(12-19-4-2)9-7-10-15(17)18/h7,9-10,13,16,19H,3-6,8,11-12H2,1-2H3.
What are the key properties of N-[[2-(2-ethylcyclohexyl)oxy-3-fluorophenyl]methyl]ethanamine?
N-[[2-(2-ethylcyclohexyl)oxy-3-fluorophenyl]methyl]ethanamine has a molecular weight of 279.40 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethylcyclohexyl)oxy-3-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 115953347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).