3-cyclohexyloxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine

C17H26FNO — CID 43080785

IUPAC3-cyclohexyloxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
SMILESCC(NCCCOC1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C17H26FNO/c1-14(15-8-10-16(18)11-9-15)19-12-5-13-20-17-6-3-2-4-7-17/h8-11,14,17,19H,2-7,12-13H2,1H3
InChIKeyHRORVTKBAIPRIL-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.22
Rot. Bonds7

About 3-cyclohexyloxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine

3-cyclohexyloxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine (PubChem CID 43080785) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 3-cyclohexyloxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclohexyloxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
PubChem CID43080785
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name3-cyclohexyloxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
SMILESCC(NCCCOC1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C17H26FNO/c1-14(15-8-10-16(18)11-9-15)19-12-5-13-20-17-6-3-2-4-7-17/h8-11,14,17,19H,2-7,12-13H2,1H3
InChIKeyHRORVTKBAIPRIL-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-cyclohexyloxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine 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 3-cyclohexyloxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of 3-cyclohexyloxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine (CID 43080785) is 3-cyclohexyloxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-cyclohexyloxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for 3-cyclohexyloxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine is CC(NCCCOC1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of 3-cyclohexyloxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is HRORVTKBAIPRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-14(15-8-10-16(18)11-9-15)19-12-5-13-20-17-6-3-2-4-7-17/h8-11,14,17,19H,2-7,12-13H2,1H3.
What are the key properties of 3-cyclohexyloxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine?
3-cyclohexyloxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 43080785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).