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

C20H26ClNO2 — CID 2968591

IUPAC1-(cyclopentylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride
SMILESCl.OC(CNC1CCCC1)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H25NO2.ClH/c22-19(14-21-18-8-4-5-9-18)15-23-20-12-10-17(11-13-20)16-6-2-1-3-7-16;/h1-3,6-7,10-13,18-19,21-22H,4-5,8-9,14-15H2;1H
InChIKeyRXMDNLLGABAGGI-UHFFFAOYSA-N
MW347.89 g/mol
LogP4.05
Rot. Bonds7

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

1-(cyclopentylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride (PubChem CID 2968591) has the molecular formula C20H26ClNO2 and a molecular weight of 347.89 g/mol. Its IUPAC name is 1-(cyclopentylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(cyclopentylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride
PubChem CID2968591
Molecular FormulaC20H26ClNO2
Molecular Weight347.89 g/mol
Exact Mass347.17
IUPAC Name1-(cyclopentylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride
SMILESCl.OC(CNC1CCCC1)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H25NO2.ClH/c22-19(14-21-18-8-4-5-9-18)15-23-20-12-10-17(11-13-20)16-6-2-1-3-7-16;/h1-3,6-7,10-13,18-19,21-22H,4-5,8-9,14-15H2;1H
InChIKeyRXMDNLLGABAGGI-UHFFFAOYSA-N
XLogP4.05
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-(cyclopentylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride (CID 2968591) is 1-(cyclopentylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(cyclopentylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(cyclopentylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride is Cl.OC(CNC1CCCC1)COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(cyclopentylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride?
The InChIKey is RXMDNLLGABAGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2.ClH/c22-19(14-21-18-8-4-5-9-18)15-23-20-12-10-17(11-13-20)16-6-2-1-3-7-16;/h1-3,6-7,10-13,18-19,21-22H,4-5,8-9,14-15H2;1H.
What are the key properties of 1-(cyclopentylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride?
1-(cyclopentylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride has a molecular weight of 347.89 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride is sourced from PubChem (CID 2968591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).