1-(4-methoxyphenyl)-2-(2-methylpropylamino)ethanone

C13H19NO2 — CID 94258475

IUPAC1-(4-methoxyphenyl)-2-(2-methylpropylamino)ethanone
SMILESCOc1ccc(C(=O)CNCC(C)C)cc1
InChIInChI=1S/C13H19NO2/c1-10(2)8-14-9-13(15)11-4-6-12(16-3)7-5-11/h4-7,10,14H,8-9H2,1-3H3
InChIKeyRIDUREPFRAKJJD-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.12
Rot. Bonds6

About 1-(4-methoxyphenyl)-2-(2-methylpropylamino)ethanone

1-(4-methoxyphenyl)-2-(2-methylpropylamino)ethanone (PubChem CID 94258475) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(2-methylpropylamino)ethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(2-methylpropylamino)ethanone
PubChem CID94258475
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(4-methoxyphenyl)-2-(2-methylpropylamino)ethanone
SMILESCOc1ccc(C(=O)CNCC(C)C)cc1
InChIInChI=1S/C13H19NO2/c1-10(2)8-14-9-13(15)11-4-6-12(16-3)7-5-11/h4-7,10,14H,8-9H2,1-3H3
InChIKeyRIDUREPFRAKJJD-UHFFFAOYSA-N
XLogP2.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide
CID 94262490
1-(3-chloro-4-methoxyphenyl)-2-(2-methylpropylamino)ethanone
CID 94271574
1-(4-aminophenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone
CID 82258238
2-[2-(dimethylamino)ethylamino]-1-(4-methoxyphenyl)ethanone
CID 82101862
1-(4-methoxyphenyl)-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]ethanone
CID 110825707
1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanone
CID 82104513
3-(4-methoxyphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338398
2-[(4-methoxyphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339393
2-[2-(4-methoxyphenoxy)ethylamino]-1-(4-methylphenyl)ethanone
CID 82101214
1-(3,4-dimethoxyphenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone
CID 110830006
N-[2-(4-methoxyphenyl)-2-oxoethyl]ethanesulfonamide
CID 58597503
1-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone
CID 82104490

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(2-methylpropylamino)ethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-(2-methylpropylamino)ethanone (CID 94258475) is 1-(4-methoxyphenyl)-2-(2-methylpropylamino)ethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(2-methylpropylamino)ethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(2-methylpropylamino)ethanone is COc1ccc(C(=O)CNCC(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(2-methylpropylamino)ethanone?
The InChIKey is RIDUREPFRAKJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(2)8-14-9-13(15)11-4-6-12(16-3)7-5-11/h4-7,10,14H,8-9H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(2-methylpropylamino)ethanone?
1-(4-methoxyphenyl)-2-(2-methylpropylamino)ethanone has a molecular weight of 221.30 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(2-methylpropylamino)ethanone is sourced from PubChem (CID 94258475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).