2-[2-hydroxypropyl(methyl)amino]-1-(4-methoxyphenyl)ethanone

C13H19NO3 — CID 62332829

IUPAC2-[2-hydroxypropyl(methyl)amino]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN(C)CC(C)O)cc1
InChIInChI=1S/C13H19NO3/c1-10(15)8-14(2)9-13(16)11-4-6-12(17-3)7-5-11/h4-7,10,15H,8-9H2,1-3H3
InChIKeyRTUDWABUACVSMK-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.19
Rot. Bonds6

About 2-[2-hydroxypropyl(methyl)amino]-1-(4-methoxyphenyl)ethanone

2-[2-hydroxypropyl(methyl)amino]-1-(4-methoxyphenyl)ethanone (PubChem CID 62332829) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[2-hydroxypropyl(methyl)amino]-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[2-hydroxypropyl(methyl)amino]-1-(4-methoxyphenyl)ethanone
PubChem CID62332829
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-[2-hydroxypropyl(methyl)amino]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN(C)CC(C)O)cc1
InChIInChI=1S/C13H19NO3/c1-10(15)8-14(2)9-13(16)11-4-6-12(17-3)7-5-11/h4-7,10,15H,8-9H2,1-3H3
InChIKeyRTUDWABUACVSMK-UHFFFAOYSA-N
XLogP1.19
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-methoxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60681059
2-[(4-fluorophenyl)methyl-methylamino]-1-(4-methoxyphenyl)ethanone
CID 60650628
[2-(4-methoxyphenyl)-2-oxoethyl] 2-hydroxypropanoate
CID 70980265
1-(3,4-difluorophenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 62333770
1-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]ethanone
CID 60650580
2-[[2-(4-methoxyphenyl)-2-oxoethyl]-(2-methylpropyl)amino]acetamide
CID 62035280
1-(4-methoxyphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
CID 60650805
2-[cyclohexylmethyl(methyl)amino]-1-(4-methoxyphenyl)ethanone
CID 61446447
1-(3-methoxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone
CID 43796154
3-(4-methoxyphenyl)-N,N-dimethyl-3-oxopropanamide
CID 165177985
N-(2-hydroxypropyl)-2-(4-methoxyphenyl)-N-methylacetamide
CID 62333656
3-[bis(3-methylbutyl)amino]-1-(4-methoxyphenyl)propan-1-one
CID 71671663

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxypropyl(methyl)amino]-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-[2-hydroxypropyl(methyl)amino]-1-(4-methoxyphenyl)ethanone (CID 62332829) is 2-[2-hydroxypropyl(methyl)amino]-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[2-hydroxypropyl(methyl)amino]-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-[2-hydroxypropyl(methyl)amino]-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)CN(C)CC(C)O)cc1.
What is the InChIKey of 2-[2-hydroxypropyl(methyl)amino]-1-(4-methoxyphenyl)ethanone?
The InChIKey is RTUDWABUACVSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10(15)8-14(2)9-13(16)11-4-6-12(17-3)7-5-11/h4-7,10,15H,8-9H2,1-3H3.
What are the key properties of 2-[2-hydroxypropyl(methyl)amino]-1-(4-methoxyphenyl)ethanone?
2-[2-hydroxypropyl(methyl)amino]-1-(4-methoxyphenyl)ethanone has a molecular weight of 237.30 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxypropyl(methyl)amino]-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 62332829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).