1-(3-phenylpropoxy)-3-(propan-2-ylamino)propan-2-ol

C15H25NO2 — CID 12797747

IUPAC1-(3-phenylpropoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COCCCc1ccccc1
InChIInChI=1S/C15H25NO2/c1-13(2)16-11-15(17)12-18-10-6-9-14-7-4-3-5-8-14/h3-5,7-8,13,15-17H,6,9-12H2,1-2H3
InChIKeyABSFOXWUNVUMLQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.99
Rot. Bonds9

About 1-(3-phenylpropoxy)-3-(propan-2-ylamino)propan-2-ol

1-(3-phenylpropoxy)-3-(propan-2-ylamino)propan-2-ol (PubChem CID 12797747) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(3-phenylpropoxy)-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3-phenylpropoxy)-3-(propan-2-ylamino)propan-2-ol
PubChem CID12797747
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(3-phenylpropoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COCCCc1ccccc1
InChIInChI=1S/C15H25NO2/c1-13(2)16-11-15(17)12-18-10-6-9-14-7-4-3-5-8-14/h3-5,7-8,13,15-17H,6,9-12H2,1-2H3
InChIKeyABSFOXWUNVUMLQ-UHFFFAOYSA-N
XLogP1.99
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-phenylpropoxy)-3-(propan-2-ylamino)propan-2-ol 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-(3-phenylpropoxy)-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(3-phenylpropoxy)-3-(propan-2-ylamino)propan-2-ol (CID 12797747) is 1-(3-phenylpropoxy)-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(3-phenylpropoxy)-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(3-phenylpropoxy)-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)COCCCc1ccccc1.
What is the InChIKey of 1-(3-phenylpropoxy)-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is ABSFOXWUNVUMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-13(2)16-11-15(17)12-18-10-6-9-14-7-4-3-5-8-14/h3-5,7-8,13,15-17H,6,9-12H2,1-2H3.
What are the key properties of 1-(3-phenylpropoxy)-3-(propan-2-ylamino)propan-2-ol?
1-(3-phenylpropoxy)-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 1.99, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropoxy)-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 12797747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).