3-amino-1-(3-pentoxyphenyl)propan-1-ol

C14H23NO2 — CID 25256413

IUPAC3-amino-1-(3-pentoxyphenyl)propan-1-ol
SMILESCCCCCOc1cccc(C(O)CCN)c1
InChIInChI=1S/C14H23NO2/c1-2-3-4-10-17-13-7-5-6-12(11-13)14(16)8-9-15/h5-7,11,14,16H,2-4,8-10,15H2,1H3
InChIKeyITKZSYFYHWGGQL-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.64
Rot. Bonds8

About 3-amino-1-(3-pentoxyphenyl)propan-1-ol

3-amino-1-(3-pentoxyphenyl)propan-1-ol (PubChem CID 25256413) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-amino-1-(3-pentoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-pentoxyphenyl)propan-1-ol
PubChem CID25256413
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-amino-1-(3-pentoxyphenyl)propan-1-ol
SMILESCCCCCOc1cccc(C(O)CCN)c1
InChIInChI=1S/C14H23NO2/c1-2-3-4-10-17-13-7-5-6-12(11-13)14(16)8-9-15/h5-7,11,14,16H,2-4,8-10,15H2,1H3
InChIKeyITKZSYFYHWGGQL-UHFFFAOYSA-N
XLogP2.64
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-1-(3-pentoxyphenyl)propan-1-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 3-amino-1-(3-pentoxyphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(3-pentoxyphenyl)propan-1-ol (CID 25256413) is 3-amino-1-(3-pentoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3-pentoxyphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3-pentoxyphenyl)propan-1-ol is CCCCCOc1cccc(C(O)CCN)c1.
What is the InChIKey of 3-amino-1-(3-pentoxyphenyl)propan-1-ol?
The InChIKey is ITKZSYFYHWGGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-2-3-4-10-17-13-7-5-6-12(11-13)14(16)8-9-15/h5-7,11,14,16H,2-4,8-10,15H2,1H3.
What are the key properties of 3-amino-1-(3-pentoxyphenyl)propan-1-ol?
3-amino-1-(3-pentoxyphenyl)propan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-pentoxyphenyl)propan-1-ol is sourced from PubChem (CID 25256413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).