1-[2-[(2S)-3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone

C16H23NO3 — CID 1248675

IUPAC1-[2-[(2S)-3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OC[C@@H](O)CNC1CCCC1
InChIInChI=1S/C16H23NO3/c1-12(18)15-8-4-5-9-16(15)20-11-14(19)10-17-13-6-2-3-7-13/h4-5,8-9,13-14,17,19H,2-3,6-7,10-11H2,1H3/t14-/m0/s1
InChIKeyJMLKXHRFTYZDQT-AWEZNQCLSA-N
MW277.36 g/mol
LogP2.16
Rot. Bonds7

About 1-[2-[(2S)-3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone

1-[2-[(2S)-3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone (PubChem CID 1248675) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-[2-[(2S)-3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(2S)-3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone
PubChem CID1248675
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-[2-[(2S)-3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OC[C@@H](O)CNC1CCCC1
InChIInChI=1S/C16H23NO3/c1-12(18)15-8-4-5-9-16(15)20-11-14(19)10-17-13-6-2-3-7-13/h4-5,8-9,13-14,17,19H,2-3,6-7,10-11H2,1H3/t14-/m0/s1
InChIKeyJMLKXHRFTYZDQT-AWEZNQCLSA-N
XLogP2.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[3-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-hydroxypropoxy]phenyl]ethanone
CID 138961033
1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 62414951
1-(cyclooctylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 4799215
(2R)-1-(2-bromophenoxy)-3-(cyclohexylamino)propan-2-ol
CID 804670
1-[2-[(2R)-2-hydroxy-3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 25278451
(2S)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 2086466
(2R)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 2086464
(2R)-1-(cyclopentylamino)-3-(2-nitrophenoxy)propan-2-ol
CID 1266890
1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone;hydrochloride
CID 2966544
1-(cyclopentylamino)-3-(2-nitrophenoxy)propan-2-ol;hydrochloride
CID 2969198
1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone
CID 2968485
(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[(2S)-3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone (CID 1248675) is 1-[2-[(2S)-3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[(2S)-3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[(2S)-3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone is CC(=O)c1ccccc1OC[C@@H](O)CNC1CCCC1.
What is the InChIKey of 1-[2-[(2S)-3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone?
The InChIKey is JMLKXHRFTYZDQT-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(18)15-8-4-5-9-16(15)20-11-14(19)10-17-13-6-2-3-7-13/h4-5,8-9,13-14,17,19H,2-3,6-7,10-11H2,1H3/t14-/m0/s1.
What are the key properties of 1-[2-[(2S)-3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone?
1-[2-[(2S)-3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone has a molecular weight of 277.36 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone is sourced from PubChem (CID 1248675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).