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

C16H26ClNO2 — CID 2967955

IUPAC1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol;hydrochloride
SMILESCc1ccc(OCC(O)CNC2CCCC2)cc1C.Cl
InChIInChI=1S/C16H25NO2.ClH/c1-12-7-8-16(9-13(12)2)19-11-15(18)10-17-14-5-3-4-6-14;/h7-9,14-15,17-18H,3-6,10-11H2,1-2H3;1H
InChIKeyJZJLHNQBLHUHFF-UHFFFAOYSA-N
MW299.84 g/mol
LogP3.00
Rot. Bonds6

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

1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol;hydrochloride (PubChem CID 2967955) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is 1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol;hydrochloride
PubChem CID2967955
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol;hydrochloride
SMILESCc1ccc(OCC(O)CNC2CCCC2)cc1C.Cl
InChIInChI=1S/C16H25NO2.ClH/c1-12-7-8-16(9-13(12)2)19-11-15(18)10-17-14-5-3-4-6-14;/h7-9,14-15,17-18H,3-6,10-11H2,1-2H3;1H
InChIKeyJZJLHNQBLHUHFF-UHFFFAOYSA-N
XLogP3.00
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol;hydrochloride (CID 2967955) is 1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol;hydrochloride is Cc1ccc(OCC(O)CNC2CCCC2)cc1C.Cl.
What is the InChIKey of 1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol;hydrochloride?
The InChIKey is JZJLHNQBLHUHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2.ClH/c1-12-7-8-16(9-13(12)2)19-11-15(18)10-17-14-5-3-4-6-14;/h7-9,14-15,17-18H,3-6,10-11H2,1-2H3;1H.
What are the key properties of 1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol;hydrochloride?
1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol;hydrochloride has a molecular weight of 299.84 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol;hydrochloride is sourced from PubChem (CID 2967955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).