1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-(methylamino)ethanone

C14H19NO2 — CID 117108293

IUPAC1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccccc1C1(COC)CC1
InChIInChI=1S/C14H19NO2/c1-15-9-13(16)11-5-3-4-6-12(11)14(7-8-14)10-17-2/h3-6,15H,7-10H2,1-2H3
InChIKeySVKYGYIZONHLGJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.77
Rot. Bonds6

About 1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-(methylamino)ethanone

1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-(methylamino)ethanone (PubChem CID 117108293) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-(methylamino)ethanone
PubChem CID117108293
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccccc1C1(COC)CC1
InChIInChI=1S/C14H19NO2/c1-15-9-13(16)11-5-3-4-6-12(11)14(7-8-14)10-17-2/h3-6,15H,7-10H2,1-2H3
InChIKeySVKYGYIZONHLGJ-UHFFFAOYSA-N
XLogP1.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]cyclopentane-1-carboxylic acid
CID 117114147
1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-(methylamino)ethanone
CID 117108291
1-[2-(2-methoxyethoxy)phenyl]-2-(methylamino)ethanone
CID 116553800
3-[2-[1-(methoxymethyl)cyclopropyl]phenyl]propanoic acid
CID 117114855
1-(2-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride
CID 140991954
1-[2-(dimethoxymethyl)phenyl]-2-(methylamino)ethanone
CID 84788996
2-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-methylpropan-1-ol
CID 117113680
4-amino-4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]butanoic acid
CID 117115970
1-[2-(fluoromethyl)phenyl]-2-(methylamino)ethanone
CID 84657859
1-[2-(2-fluoro-2-methylpropyl)phenyl]-2-(methylamino)ethanone
CID 117320150
5-[2-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine-3-carboxylic acid
CID 117117011
2-(methylamino)-1-[2-(oxetan-3-yl)phenyl]ethanone
CID 115005818

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-(methylamino)ethanone?
The IUPAC name of 1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-(methylamino)ethanone (CID 117108293) is 1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-(methylamino)ethanone is CNCC(=O)c1ccccc1C1(COC)CC1.
What is the InChIKey of 1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-(methylamino)ethanone?
The InChIKey is SVKYGYIZONHLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-15-9-13(16)11-5-3-4-6-12(11)14(7-8-14)10-17-2/h3-6,15H,7-10H2,1-2H3.
What are the key properties of 1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-(methylamino)ethanone?
1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-(methylamino)ethanone has a molecular weight of 233.31 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-(methylamino)ethanone is sourced from PubChem (CID 117108293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).