2-[[2-amino-1-(4-chlorophenyl)butyl]-propylamino]ethanol

C15H25ClN2O — CID 55014756

IUPAC2-[[2-amino-1-(4-chlorophenyl)butyl]-propylamino]ethanol
SMILESCCCN(CCO)C(c1ccc(Cl)cc1)C(N)CC
InChIInChI=1S/C15H25ClN2O/c1-3-9-18(10-11-19)15(14(17)4-2)12-5-7-13(16)8-6-12/h5-8,14-15,19H,3-4,9-11,17H2,1-2H3
InChIKeyJRQHIFKPAMITPE-UHFFFAOYSA-N
MW284.83 g/mol
LogP2.82
Rot. Bonds8

About 2-[[2-amino-1-(4-chlorophenyl)butyl]-propylamino]ethanol

2-[[2-amino-1-(4-chlorophenyl)butyl]-propylamino]ethanol (PubChem CID 55014756) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 2-[[2-amino-1-(4-chlorophenyl)butyl]-propylamino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-1-(4-chlorophenyl)butyl]-propylamino]ethanol
PubChem CID55014756
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name2-[[2-amino-1-(4-chlorophenyl)butyl]-propylamino]ethanol
SMILESCCCN(CCO)C(c1ccc(Cl)cc1)C(N)CC
InChIInChI=1S/C15H25ClN2O/c1-3-9-18(10-11-19)15(14(17)4-2)12-5-7-13(16)8-6-12/h5-8,14-15,19H,3-4,9-11,17H2,1-2H3
InChIKeyJRQHIFKPAMITPE-UHFFFAOYSA-N
XLogP2.82
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-amino-1-(4-chlorophenyl)butyl]-propylamino]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-[[2-amino-1-(4-chlorophenyl)butyl]-propylamino]ethanol?
The IUPAC name of 2-[[2-amino-1-(4-chlorophenyl)butyl]-propylamino]ethanol (CID 55014756) is 2-[[2-amino-1-(4-chlorophenyl)butyl]-propylamino]ethanol.
What is the SMILES notation for 2-[[2-amino-1-(4-chlorophenyl)butyl]-propylamino]ethanol?
The canonical SMILES for 2-[[2-amino-1-(4-chlorophenyl)butyl]-propylamino]ethanol is CCCN(CCO)C(c1ccc(Cl)cc1)C(N)CC.
What is the InChIKey of 2-[[2-amino-1-(4-chlorophenyl)butyl]-propylamino]ethanol?
The InChIKey is JRQHIFKPAMITPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O/c1-3-9-18(10-11-19)15(14(17)4-2)12-5-7-13(16)8-6-12/h5-8,14-15,19H,3-4,9-11,17H2,1-2H3.
What are the key properties of 2-[[2-amino-1-(4-chlorophenyl)butyl]-propylamino]ethanol?
2-[[2-amino-1-(4-chlorophenyl)butyl]-propylamino]ethanol has a molecular weight of 284.83 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(4-chlorophenyl)butyl]-propylamino]ethanol is sourced from PubChem (CID 55014756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).