1-(cyclopentylamino)-3-(3-methoxyphenoxy)propan-2-ol;hydrochloride

C15H24ClNO3 — CID 2968864

IUPAC1-(cyclopentylamino)-3-(3-methoxyphenoxy)propan-2-ol;hydrochloride
SMILESCOc1cccc(OCC(O)CNC2CCCC2)c1.Cl
InChIInChI=1S/C15H23NO3.ClH/c1-18-14-7-4-8-15(9-14)19-11-13(17)10-16-12-5-2-3-6-12;/h4,7-9,12-13,16-17H,2-3,5-6,10-11H2,1H3;1H
InChIKeyHRLLHHGVTWNRJG-UHFFFAOYSA-N
MW301.81 g/mol
LogP2.39
Rot. Bonds7

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

1-(cyclopentylamino)-3-(3-methoxyphenoxy)propan-2-ol;hydrochloride (PubChem CID 2968864) has the molecular formula C15H24ClNO3 and a molecular weight of 301.81 g/mol. Its IUPAC name is 1-(cyclopentylamino)-3-(3-methoxyphenoxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(cyclopentylamino)-3-(3-methoxyphenoxy)propan-2-ol;hydrochloride
PubChem CID2968864
Molecular FormulaC15H24ClNO3
Molecular Weight301.81 g/mol
Exact Mass301.14
IUPAC Name1-(cyclopentylamino)-3-(3-methoxyphenoxy)propan-2-ol;hydrochloride
SMILESCOc1cccc(OCC(O)CNC2CCCC2)c1.Cl
InChIInChI=1S/C15H23NO3.ClH/c1-18-14-7-4-8-15(9-14)19-11-13(17)10-16-12-5-2-3-6-12;/h4,7-9,12-13,16-17H,2-3,5-6,10-11H2,1H3;1H
InChIKeyHRLLHHGVTWNRJG-UHFFFAOYSA-N
XLogP2.39
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.81
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylamino)-3-(3-methoxyphenoxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-(cyclopentylamino)-3-(3-methoxyphenoxy)propan-2-ol;hydrochloride (CID 2968864) is 1-(cyclopentylamino)-3-(3-methoxyphenoxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(cyclopentylamino)-3-(3-methoxyphenoxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(cyclopentylamino)-3-(3-methoxyphenoxy)propan-2-ol;hydrochloride is COc1cccc(OCC(O)CNC2CCCC2)c1.Cl.
What is the InChIKey of 1-(cyclopentylamino)-3-(3-methoxyphenoxy)propan-2-ol;hydrochloride?
The InChIKey is HRLLHHGVTWNRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3.ClH/c1-18-14-7-4-8-15(9-14)19-11-13(17)10-16-12-5-2-3-6-12;/h4,7-9,12-13,16-17H,2-3,5-6,10-11H2,1H3;1H.
What are the key properties of 1-(cyclopentylamino)-3-(3-methoxyphenoxy)propan-2-ol;hydrochloride?
1-(cyclopentylamino)-3-(3-methoxyphenoxy)propan-2-ol;hydrochloride has a molecular weight of 301.81 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylamino)-3-(3-methoxyphenoxy)propan-2-ol;hydrochloride is sourced from PubChem (CID 2968864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).