2-[(3-amino-1-phenylpropyl)-cyclopentylamino]ethanol

C16H26N2O — CID 55117769

IUPAC2-[(3-amino-1-phenylpropyl)-cyclopentylamino]ethanol
SMILESNCCC(c1ccccc1)N(CCO)C1CCCC1
InChIInChI=1S/C16H26N2O/c17-11-10-16(14-6-2-1-3-7-14)18(12-13-19)15-8-4-5-9-15/h1-3,6-7,15-16,19H,4-5,8-13,17H2
InChIKeyZOZYLIRFJRTZGL-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.31
Rot. Bonds7

About 2-[(3-amino-1-phenylpropyl)-cyclopentylamino]ethanol

2-[(3-amino-1-phenylpropyl)-cyclopentylamino]ethanol (PubChem CID 55117769) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[(3-amino-1-phenylpropyl)-cyclopentylamino]ethanol.

Molecular Properties

Compound Name2-[(3-amino-1-phenylpropyl)-cyclopentylamino]ethanol
PubChem CID55117769
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[(3-amino-1-phenylpropyl)-cyclopentylamino]ethanol
SMILESNCCC(c1ccccc1)N(CCO)C1CCCC1
InChIInChI=1S/C16H26N2O/c17-11-10-16(14-6-2-1-3-7-14)18(12-13-19)15-8-4-5-9-15/h1-3,6-7,15-16,19H,4-5,8-13,17H2
InChIKeyZOZYLIRFJRTZGL-UHFFFAOYSA-N
XLogP2.31
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3-amino-1-phenylpropyl)-cyclopentylamino]ethanol 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 2-[(3-amino-1-phenylpropyl)-cyclopentylamino]ethanol?
The IUPAC name of 2-[(3-amino-1-phenylpropyl)-cyclopentylamino]ethanol (CID 55117769) is 2-[(3-amino-1-phenylpropyl)-cyclopentylamino]ethanol.
What is the SMILES notation for 2-[(3-amino-1-phenylpropyl)-cyclopentylamino]ethanol?
The canonical SMILES for 2-[(3-amino-1-phenylpropyl)-cyclopentylamino]ethanol is NCCC(c1ccccc1)N(CCO)C1CCCC1.
What is the InChIKey of 2-[(3-amino-1-phenylpropyl)-cyclopentylamino]ethanol?
The InChIKey is ZOZYLIRFJRTZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c17-11-10-16(14-6-2-1-3-7-14)18(12-13-19)15-8-4-5-9-15/h1-3,6-7,15-16,19H,4-5,8-13,17H2.
What are the key properties of 2-[(3-amino-1-phenylpropyl)-cyclopentylamino]ethanol?
2-[(3-amino-1-phenylpropyl)-cyclopentylamino]ethanol has a molecular weight of 262.40 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-1-phenylpropyl)-cyclopentylamino]ethanol is sourced from PubChem (CID 55117769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).