2-[3-hydroxypropyl(propan-2-yl)amino]-1-(3-methylphenyl)ethanone

C15H23NO2 — CID 62030544

IUPAC2-[3-hydroxypropyl(propan-2-yl)amino]-1-(3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)CN(CCCO)C(C)C)c1
InChIInChI=1S/C15H23NO2/c1-12(2)16(8-5-9-17)11-15(18)14-7-4-6-13(3)10-14/h4,6-7,10,12,17H,5,8-9,11H2,1-3H3
InChIKeyUMCTUBJSPRMBFF-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.27
Rot. Bonds7

About 2-[3-hydroxypropyl(propan-2-yl)amino]-1-(3-methylphenyl)ethanone

2-[3-hydroxypropyl(propan-2-yl)amino]-1-(3-methylphenyl)ethanone (PubChem CID 62030544) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[3-hydroxypropyl(propan-2-yl)amino]-1-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[3-hydroxypropyl(propan-2-yl)amino]-1-(3-methylphenyl)ethanone
PubChem CID62030544
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[3-hydroxypropyl(propan-2-yl)amino]-1-(3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)CN(CCCO)C(C)C)c1
InChIInChI=1S/C15H23NO2/c1-12(2)16(8-5-9-17)11-15(18)14-7-4-6-13(3)10-14/h4,6-7,10,12,17H,5,8-9,11H2,1-3H3
InChIKeyUMCTUBJSPRMBFF-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone
CID 62029774
2-[3-hydroxypropyl(propan-2-yl)amino]-1-(3-nitrophenyl)ethanone
CID 62029393
2-[butan-2-yl(butyl)amino]-1-(3-methylphenyl)ethanone
CID 55005484
1-(2,4-dimethylphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone
CID 62031492
2-[butan-2-yl(2-methoxyethyl)amino]-1-(3-methylphenyl)ethanone
CID 54999936
2-[butyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone
CID 62052086
2-[cyclopropyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone
CID 62030145
2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(3-methylphenyl)ethanone
CID 55010786
2-[3-hydroxypropyl(propan-2-yl)amino]-1-(2-methoxyphenyl)ethanone
CID 62030923
1-(3-methoxyphenyl)-2-[propan-2-yl(propyl)amino]ethanone
CID 43795420
N-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbenzamide
CID 43572908
1-(5-fluoro-2-hydroxyphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone
CID 62030728

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxypropyl(propan-2-yl)amino]-1-(3-methylphenyl)ethanone?
The IUPAC name of 2-[3-hydroxypropyl(propan-2-yl)amino]-1-(3-methylphenyl)ethanone (CID 62030544) is 2-[3-hydroxypropyl(propan-2-yl)amino]-1-(3-methylphenyl)ethanone.
What is the SMILES notation for 2-[3-hydroxypropyl(propan-2-yl)amino]-1-(3-methylphenyl)ethanone?
The canonical SMILES for 2-[3-hydroxypropyl(propan-2-yl)amino]-1-(3-methylphenyl)ethanone is Cc1cccc(C(=O)CN(CCCO)C(C)C)c1.
What is the InChIKey of 2-[3-hydroxypropyl(propan-2-yl)amino]-1-(3-methylphenyl)ethanone?
The InChIKey is UMCTUBJSPRMBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(2)16(8-5-9-17)11-15(18)14-7-4-6-13(3)10-14/h4,6-7,10,12,17H,5,8-9,11H2,1-3H3.
What are the key properties of 2-[3-hydroxypropyl(propan-2-yl)amino]-1-(3-methylphenyl)ethanone?
2-[3-hydroxypropyl(propan-2-yl)amino]-1-(3-methylphenyl)ethanone has a molecular weight of 249.35 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxypropyl(propan-2-yl)amino]-1-(3-methylphenyl)ethanone is sourced from PubChem (CID 62030544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).