2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-dimethylphenyl)ethanone

C16H23NO2 — CID 61451944

IUPAC2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-dimethylphenyl)ethanone
SMILESCOCCN(CC(=O)c1ccc(C)c(C)c1)C1CC1
InChIInChI=1S/C16H23NO2/c1-12-4-5-14(10-13(12)2)16(18)11-17(8-9-19-3)15-6-7-15/h4-5,10,15H,6-9,11H2,1-3H3
InChIKeyGWFZALXWPALAGM-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.60
Rot. Bonds7

About 2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-dimethylphenyl)ethanone

2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-dimethylphenyl)ethanone (PubChem CID 61451944) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-dimethylphenyl)ethanone
PubChem CID61451944
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-dimethylphenyl)ethanone
SMILESCOCCN(CC(=O)c1ccc(C)c(C)c1)C1CC1
InChIInChI=1S/C16H23NO2/c1-12-4-5-14(10-13(12)2)16(18)11-17(8-9-19-3)15-6-7-15/h4-5,10,15H,6-9,11H2,1-3H3
InChIKeyGWFZALXWPALAGM-UHFFFAOYSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-2-[cyclopropyl(2-methoxyethyl)amino]ethanone
CID 61452098
1-(3-bromo-4-methoxyphenyl)-2-[cyclopropyl(2-hydroxyethyl)amino]ethanone
CID 62030716
N-(2-methoxyethyl)-N,3,4-trimethylbenzamide
CID 130399829
N'-cyclopropyl-1-(3,4-dimethylphenyl)-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 61451709
2-[cyclopropyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 43795545
2-[cyclopropyl(2-hydroxyethyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 62029955
2-[cyclopropyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone
CID 62030145
1-cyclopropyl-2-[cyclopropyl(2-methoxyethyl)amino]ethanone
CID 63914095
1-(3,4-dimethylphenyl)-2-[methyl-(3-methylcyclohexyl)amino]ethanone
CID 61445964
2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dimethylphenyl)ethanone
CID 60649749
3-[[cyclopropyl(2-methoxyethyl)amino]methyl]-4-fluorobenzoic acid
CID 63073825
N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethylbenzamide
CID 43576906

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-dimethylphenyl)ethanone?
The IUPAC name of 2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-dimethylphenyl)ethanone (CID 61451944) is 2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-dimethylphenyl)ethanone.
What is the SMILES notation for 2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-dimethylphenyl)ethanone?
The canonical SMILES for 2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-dimethylphenyl)ethanone is COCCN(CC(=O)c1ccc(C)c(C)c1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-dimethylphenyl)ethanone?
The InChIKey is GWFZALXWPALAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-4-5-14(10-13(12)2)16(18)11-17(8-9-19-3)15-6-7-15/h4-5,10,15H,6-9,11H2,1-3H3.
What are the key properties of 2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-dimethylphenyl)ethanone?
2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-dimethylphenyl)ethanone has a molecular weight of 261.37 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-dimethylphenyl)ethanone is sourced from PubChem (CID 61451944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).