1-[3-[3-(diethylamino)-2-hydroxypropoxy]phenyl]ethanone

C15H23NO3 — CID 110877527

IUPAC1-[3-[3-(diethylamino)-2-hydroxypropoxy]phenyl]ethanone
SMILESCCN(CC)CC(O)COc1cccc(C(C)=O)c1
InChIInChI=1S/C15H23NO3/c1-4-16(5-2)10-14(18)11-19-15-8-6-7-13(9-15)12(3)17/h6-9,14,18H,4-5,10-11H2,1-3H3
InChIKeyRDQMQJDOUQCKBC-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.97
Rot. Bonds8

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

1-[3-[3-(diethylamino)-2-hydroxypropoxy]phenyl]ethanone (PubChem CID 110877527) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-[3-[3-(diethylamino)-2-hydroxypropoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[3-(diethylamino)-2-hydroxypropoxy]phenyl]ethanone
PubChem CID110877527
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-[3-[3-(diethylamino)-2-hydroxypropoxy]phenyl]ethanone
SMILESCCN(CC)CC(O)COc1cccc(C(C)=O)c1
InChIInChI=1S/C15H23NO3/c1-4-16(5-2)10-14(18)11-19-15-8-6-7-13(9-15)12(3)17/h6-9,14,18H,4-5,10-11H2,1-3H3
InChIKeyRDQMQJDOUQCKBC-UHFFFAOYSA-N
XLogP1.97
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-ethylbutoxy)phenyl]ethanone
CID 82927221
3-[3-[butyl(ethyl)amino]-2-hydroxypropoxy]benzenecarbothioamide
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1-[3-(3-bromo-2-methylpropoxy)phenyl]ethanone
CID 64996193
1-[3-(2-hydroxy-3-pyrazol-1-ylpropoxy)phenyl]ethanone
CID 109411614
1-(diethylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 2769832
1-[3-[2-hydroxy-3-(4-propyl-1,4-diazepan-1-yl)propoxy]phenyl]ethanone
CID 111120281
1-[3-[(2R)-3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-2-hydroxypropoxy]phenyl]ethanone
CID 32677304
3-[3-[ethyl(2-methylpropyl)amino]-2-hydroxypropoxy]benzonitrile
CID 43289073
1-[3-[(2S)-2-hydroxy-3-(2,4,4-trimethylpentan-2-ylamino)propoxy]phenyl]ethanone
CID 26002455
1-(3-henicosoxyphenyl)ethanone
CID 23127401
1-[3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropoxy]phenyl]ethanone
CID 109414078
1-[3-(chloromethoxy)phenyl]ethanone
CID 79531382

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(diethylamino)-2-hydroxypropoxy]phenyl]ethanone?
The IUPAC name of 1-[3-[3-(diethylamino)-2-hydroxypropoxy]phenyl]ethanone (CID 110877527) is 1-[3-[3-(diethylamino)-2-hydroxypropoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-[3-(diethylamino)-2-hydroxypropoxy]phenyl]ethanone?
The canonical SMILES for 1-[3-[3-(diethylamino)-2-hydroxypropoxy]phenyl]ethanone is CCN(CC)CC(O)COc1cccc(C(C)=O)c1.
What is the InChIKey of 1-[3-[3-(diethylamino)-2-hydroxypropoxy]phenyl]ethanone?
The InChIKey is RDQMQJDOUQCKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-16(5-2)10-14(18)11-19-15-8-6-7-13(9-15)12(3)17/h6-9,14,18H,4-5,10-11H2,1-3H3.
What are the key properties of 1-[3-[3-(diethylamino)-2-hydroxypropoxy]phenyl]ethanone?
1-[3-[3-(diethylamino)-2-hydroxypropoxy]phenyl]ethanone has a molecular weight of 265.35 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(diethylamino)-2-hydroxypropoxy]phenyl]ethanone is sourced from PubChem (CID 110877527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).