1-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]phenyl]propan-1-one

C15H21NO3 — CID 138958786

IUPAC1-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCC(O)CNC2CC2)cc1
InChIInChI=1S/C15H21NO3/c1-2-15(18)11-3-7-14(8-4-11)19-10-13(17)9-16-12-5-6-12/h3-4,7-8,12-13,16-17H,2,5-6,9-10H2,1H3
InChIKeyRSPNUMZFJPQUQW-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.77
Rot. Bonds8

About 1-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]phenyl]propan-1-one

1-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]phenyl]propan-1-one (PubChem CID 138958786) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]phenyl]propan-1-one
PubChem CID138958786
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCC(O)CNC2CC2)cc1
InChIInChI=1S/C15H21NO3/c1-2-15(18)11-3-7-14(8-4-11)19-10-13(17)9-16-12-5-6-12/h3-4,7-8,12-13,16-17H,2,5-6,9-10H2,1H3
InChIKeyRSPNUMZFJPQUQW-UHFFFAOYSA-N
XLogP1.77
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(2R)-3-(cycloheptylamino)-2-hydroxypropoxy]phenyl]propan-1-one
CID 2102296
1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone;hydrochloride
CID 2966544
(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
1-[4-[2-hydroxy-3-(oxan-4-ylamino)propoxy]phenyl]ethanone;hydrochloride
CID 122714551
1-[4-[(2S)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one
CID 51566506
1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 18838017
4-[[3-(4-tert-butylphenoxy)-2-hydroxypropyl]amino]-N-methylcyclohexane-1-carboxamide
CID 166238845
1-[4-[(2S)-2-hydroxy-3-(prop-2-enylamino)propoxy]phenyl]propan-1-one
CID 51566532
1-(4-bromophenoxy)-3-(cyclobutylamino)propan-2-ol
CID 55066785
1-[4-[(2R)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]propan-1-one
CID 1265839
4-[[3-(4-carbamoylphenoxy)-2-hydroxypropyl]amino]piperidine-1-carboxylic acid
CID 22269204
4-[1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 67847089

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]phenyl]propan-1-one?
The IUPAC name of 1-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]phenyl]propan-1-one (CID 138958786) is 1-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]phenyl]propan-1-one is CCC(=O)c1ccc(OCC(O)CNC2CC2)cc1.
What is the InChIKey of 1-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]phenyl]propan-1-one?
The InChIKey is RSPNUMZFJPQUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-15(18)11-3-7-14(8-4-11)19-10-13(17)9-16-12-5-6-12/h3-4,7-8,12-13,16-17H,2,5-6,9-10H2,1H3.
What are the key properties of 1-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]phenyl]propan-1-one?
1-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]phenyl]propan-1-one has a molecular weight of 263.34 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]phenyl]propan-1-one is sourced from PubChem (CID 138958786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).