1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone;hydrochloride

C16H24ClNO3 — CID 2966544

IUPAC1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone;hydrochloride
SMILESCC(=O)c1ccc(OCC(O)CNC2CCCC2)cc1.Cl
InChIInChI=1S/C16H23NO3.ClH/c1-12(18)13-6-8-16(9-7-13)20-11-15(19)10-17-14-4-2-3-5-14;/h6-9,14-15,17,19H,2-5,10-11H2,1H3;1H
InChIKeyUIXXACMMHSITBQ-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.58
Rot. Bonds7

About 1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone;hydrochloride

1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone;hydrochloride (PubChem CID 2966544) has the molecular formula C16H24ClNO3 and a molecular weight of 313.83 g/mol. Its IUPAC name is 1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone;hydrochloride
PubChem CID2966544
Molecular FormulaC16H24ClNO3
Molecular Weight313.83 g/mol
Exact Mass313.14
IUPAC Name1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone;hydrochloride
SMILESCC(=O)c1ccc(OCC(O)CNC2CCCC2)cc1.Cl
InChIInChI=1S/C16H23NO3.ClH/c1-12(18)13-6-8-16(9-7-13)20-11-15(19)10-17-14-4-2-3-5-14;/h6-9,14-15,17,19H,2-5,10-11H2,1H3;1H
InChIKeyUIXXACMMHSITBQ-UHFFFAOYSA-N
XLogP2.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[2-hydroxy-3-(oxan-4-ylamino)propoxy]phenyl]ethanone;hydrochloride
CID 122714551
(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
1-[4-[(2R)-3-(cycloheptylamino)-2-hydroxypropoxy]phenyl]propan-1-one
CID 2102296
1-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]phenyl]propan-1-one
CID 138958786
1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 18838017
1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol
CID 60635581
1-[4-[(2R)-3-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-2-hydroxypropoxy]phenyl]ethanone
CID 40730913
4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile
CID 93381192
[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-cyclopentylazanium
CID 7187887
1-(4-bromophenoxy)-3-(cyclobutylamino)propan-2-ol
CID 55066785
1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol
CID 2967956
1-[2-[(2S)-3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone
CID 1248675

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone;hydrochloride?
The IUPAC name of 1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone;hydrochloride (CID 2966544) is 1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone;hydrochloride.
What is the SMILES notation for 1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone;hydrochloride?
The canonical SMILES for 1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone;hydrochloride is CC(=O)c1ccc(OCC(O)CNC2CCCC2)cc1.Cl.
What is the InChIKey of 1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone;hydrochloride?
The InChIKey is UIXXACMMHSITBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3.ClH/c1-12(18)13-6-8-16(9-7-13)20-11-15(19)10-17-14-4-2-3-5-14;/h6-9,14-15,17,19H,2-5,10-11H2,1H3;1H.
What are the key properties of 1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone;hydrochloride?
1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone;hydrochloride is sourced from PubChem (CID 2966544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).