3-(4-phenoxyphenoxy)-N-propylpropan-1-amine

C18H23NO2 — CID 14562508

IUPAC3-(4-phenoxyphenoxy)-N-propylpropan-1-amine
SMILESCCCNCCCOc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c1-2-13-19-14-6-15-20-16-9-11-18(12-10-16)21-17-7-4-3-5-8-17/h3-5,7-12,19H,2,6,13-15H2,1H3
InChIKeyQWMOICYFNUPSCG-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.25
Rot. Bonds9

About 3-(4-phenoxyphenoxy)-N-propylpropan-1-amine

3-(4-phenoxyphenoxy)-N-propylpropan-1-amine (PubChem CID 14562508) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(4-phenoxyphenoxy)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(4-phenoxyphenoxy)-N-propylpropan-1-amine
PubChem CID14562508
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-(4-phenoxyphenoxy)-N-propylpropan-1-amine
SMILESCCCNCCCOc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c1-2-13-19-14-6-15-20-16-9-11-18(12-10-16)21-17-7-4-3-5-8-17/h3-5,7-12,19H,2,6,13-15H2,1H3
InChIKeyQWMOICYFNUPSCG-UHFFFAOYSA-N
XLogP4.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-phenoxyphenoxy)-N-propylpropan-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-(4-phenoxyphenoxy)-N-propylpropan-1-amine?
The IUPAC name of 3-(4-phenoxyphenoxy)-N-propylpropan-1-amine (CID 14562508) is 3-(4-phenoxyphenoxy)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(4-phenoxyphenoxy)-N-propylpropan-1-amine?
The canonical SMILES for 3-(4-phenoxyphenoxy)-N-propylpropan-1-amine is CCCNCCCOc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3-(4-phenoxyphenoxy)-N-propylpropan-1-amine?
The InChIKey is QWMOICYFNUPSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-2-13-19-14-6-15-20-16-9-11-18(12-10-16)21-17-7-4-3-5-8-17/h3-5,7-12,19H,2,6,13-15H2,1H3.
What are the key properties of 3-(4-phenoxyphenoxy)-N-propylpropan-1-amine?
3-(4-phenoxyphenoxy)-N-propylpropan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenoxyphenoxy)-N-propylpropan-1-amine is sourced from PubChem (CID 14562508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).