1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-one

C15H23NO2 — CID 112677377

IUPAC1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1N(CCCO)C(C)C
InChIInChI=1S/C15H23NO2/c1-4-15(18)13-8-5-6-9-14(13)16(12(2)3)10-7-11-17/h5-6,8-9,12,17H,4,7,10-11H2,1-3H3
InChIKeyQJYUOTYQFCGMLF-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.88
Rot. Bonds7

About 1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-one

1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-one (PubChem CID 112677377) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-one
PubChem CID112677377
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1N(CCCO)C(C)C
InChIInChI=1S/C15H23NO2/c1-4-15(18)13-8-5-6-9-14(13)16(12(2)3)10-7-11-17/h5-6,8-9,12,17H,4,7,10-11H2,1-3H3
InChIKeyQJYUOTYQFCGMLF-UHFFFAOYSA-N
XLogP2.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-ol
CID 113358988
3-[2-[(1S)-1-aminoethyl]-N-propan-2-ylanilino]propan-1-ol
CID 78935229
2-[3-hydroxypropyl(propan-2-yl)amino]benzonitrile
CID 61147832
1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-one
CID 112677386
1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-one
CID 115994582
1-[2-[3-hydroxypropyl(propan-2-yl)amino]-6-methoxyphenyl]ethanone
CID 113388856
3-[3-hydroxypropyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 105062664
2-[ethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
CID 43265830
1-[2-[bis(2-methoxyethyl)amino]phenyl]propan-1-one
CID 112677336
1-[2-(dibenzylamino)phenyl]propan-1-one
CID 174718965
1-(2-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one
CID 62645290
N-(3-hydroxypropyl)-2-iodo-N-propan-2-ylbenzamide
CID 61039022

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-one?
The IUPAC name of 1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-one (CID 112677377) is 1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-one.
What is the SMILES notation for 1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-one?
The canonical SMILES for 1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-one is CCC(=O)c1ccccc1N(CCCO)C(C)C.
What is the InChIKey of 1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-one?
The InChIKey is QJYUOTYQFCGMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-15(18)13-8-5-6-9-14(13)16(12(2)3)10-7-11-17/h5-6,8-9,12,17H,4,7,10-11H2,1-3H3.
What are the key properties of 1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-one?
1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-one has a molecular weight of 249.35 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-one is sourced from PubChem (CID 112677377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).