1-(4-chlorophenoxy)-3-(cyclopentylamino)propan-2-ol;hydrochloride

C14H21Cl2NO2 — CID 2967932

IUPAC1-(4-chlorophenoxy)-3-(cyclopentylamino)propan-2-ol;hydrochloride
SMILESCl.OC(CNC1CCCC1)COc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2.ClH/c15-11-5-7-14(8-6-11)18-10-13(17)9-16-12-3-1-2-4-12;/h5-8,12-13,16-17H,1-4,9-10H2;1H
InChIKeyUSFYPJUVTXMABT-UHFFFAOYSA-N
MW306.23 g/mol
LogP3.03
Rot. Bonds6

About 1-(4-chlorophenoxy)-3-(cyclopentylamino)propan-2-ol;hydrochloride

1-(4-chlorophenoxy)-3-(cyclopentylamino)propan-2-ol;hydrochloride (PubChem CID 2967932) has the molecular formula C14H21Cl2NO2 and a molecular weight of 306.23 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-(cyclopentylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-(cyclopentylamino)propan-2-ol;hydrochloride
PubChem CID2967932
Molecular FormulaC14H21Cl2NO2
Molecular Weight306.23 g/mol
Exact Mass305.09
IUPAC Name1-(4-chlorophenoxy)-3-(cyclopentylamino)propan-2-ol;hydrochloride
SMILESCl.OC(CNC1CCCC1)COc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2.ClH/c15-11-5-7-14(8-6-11)18-10-13(17)9-16-12-3-1-2-4-12;/h5-8,12-13,16-17H,1-4,9-10H2;1H
InChIKeyUSFYPJUVTXMABT-UHFFFAOYSA-N
XLogP3.03
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenoxy)-3-(cyclopentylamino)propan-2-ol;hydrochloride 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-(4-chlorophenoxy)-3-(cyclopentylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-(4-chlorophenoxy)-3-(cyclopentylamino)propan-2-ol;hydrochloride (CID 2967932) is 1-(4-chlorophenoxy)-3-(cyclopentylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-(cyclopentylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(4-chlorophenoxy)-3-(cyclopentylamino)propan-2-ol;hydrochloride is Cl.OC(CNC1CCCC1)COc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-(cyclopentylamino)propan-2-ol;hydrochloride?
The InChIKey is USFYPJUVTXMABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2.ClH/c15-11-5-7-14(8-6-11)18-10-13(17)9-16-12-3-1-2-4-12;/h5-8,12-13,16-17H,1-4,9-10H2;1H.
What are the key properties of 1-(4-chlorophenoxy)-3-(cyclopentylamino)propan-2-ol;hydrochloride?
1-(4-chlorophenoxy)-3-(cyclopentylamino)propan-2-ol;hydrochloride has a molecular weight of 306.23 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-(cyclopentylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 2967932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).