4-[1-(1-phenylpropoxy)propan-2-yloxy]aniline

C18H23NO2 — CID 67651993

IUPAC4-[1-(1-phenylpropoxy)propan-2-yloxy]aniline
SMILESCCC(OCC(C)Oc1ccc(N)cc1)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-3-18(15-7-5-4-6-8-15)20-13-14(2)21-17-11-9-16(19)10-12-17/h4-12,14,18H,3,13,19H2,1-2H3
InChIKeyAXCOXSYSADALCT-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.20
Rot. Bonds7

About 4-[1-(1-phenylpropoxy)propan-2-yloxy]aniline

4-[1-(1-phenylpropoxy)propan-2-yloxy]aniline (PubChem CID 67651993) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[1-(1-phenylpropoxy)propan-2-yloxy]aniline.

Molecular Properties

Compound Name4-[1-(1-phenylpropoxy)propan-2-yloxy]aniline
PubChem CID67651993
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name4-[1-(1-phenylpropoxy)propan-2-yloxy]aniline
SMILESCCC(OCC(C)Oc1ccc(N)cc1)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-3-18(15-7-5-4-6-8-15)20-13-14(2)21-17-11-9-16(19)10-12-17/h4-12,14,18H,3,13,19H2,1-2H3
InChIKeyAXCOXSYSADALCT-UHFFFAOYSA-N
XLogP4.20
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[1-(1-phenylpropoxy)propan-2-yloxy]aniline 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 4-[1-(1-phenylpropoxy)propan-2-yloxy]aniline?
The IUPAC name of 4-[1-(1-phenylpropoxy)propan-2-yloxy]aniline (CID 67651993) is 4-[1-(1-phenylpropoxy)propan-2-yloxy]aniline.
What is the SMILES notation for 4-[1-(1-phenylpropoxy)propan-2-yloxy]aniline?
The canonical SMILES for 4-[1-(1-phenylpropoxy)propan-2-yloxy]aniline is CCC(OCC(C)Oc1ccc(N)cc1)c1ccccc1.
What is the InChIKey of 4-[1-(1-phenylpropoxy)propan-2-yloxy]aniline?
The InChIKey is AXCOXSYSADALCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-18(15-7-5-4-6-8-15)20-13-14(2)21-17-11-9-16(19)10-12-17/h4-12,14,18H,3,13,19H2,1-2H3.
What are the key properties of 4-[1-(1-phenylpropoxy)propan-2-yloxy]aniline?
4-[1-(1-phenylpropoxy)propan-2-yloxy]aniline has a molecular weight of 285.39 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-phenylpropoxy)propan-2-yloxy]aniline is sourced from PubChem (CID 67651993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).