1-cyclopropyl-2-[(3-methoxyphenyl)methyl-methylamino]ethanone

C14H19NO2 — CID 63912379

IUPAC1-cyclopropyl-2-[(3-methoxyphenyl)methyl-methylamino]ethanone
SMILESCOc1cccc(CN(C)CC(=O)C2CC2)c1
InChIInChI=1S/C14H19NO2/c1-15(10-14(16)12-6-7-12)9-11-4-3-5-13(8-11)17-2/h3-5,8,12H,6-7,9-10H2,1-2H3
InChIKeyASVCALJDABZNBC-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.11
Rot. Bonds6

About 1-cyclopropyl-2-[(3-methoxyphenyl)methyl-methylamino]ethanone

1-cyclopropyl-2-[(3-methoxyphenyl)methyl-methylamino]ethanone (PubChem CID 63912379) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(3-methoxyphenyl)methyl-methylamino]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[(3-methoxyphenyl)methyl-methylamino]ethanone
PubChem CID63912379
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-cyclopropyl-2-[(3-methoxyphenyl)methyl-methylamino]ethanone
SMILESCOc1cccc(CN(C)CC(=O)C2CC2)c1
InChIInChI=1S/C14H19NO2/c1-15(10-14(16)12-6-7-12)9-11-4-3-5-13(8-11)17-2/h3-5,8,12H,6-7,9-10H2,1-2H3
InChIKeyASVCALJDABZNBC-UHFFFAOYSA-N
XLogP2.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]ethanone
CID 63913034
N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630648
4-[(3-methoxyphenyl)methyl-methylamino]butan-2-one
CID 60648128
1-cyclopropyl-2-[(3-methoxyphenyl)methoxy]ethanone
CID 63907495
1-cyclopropyl-4-(3-methoxyphenyl)butan-1-one
CID 64504307
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678
1-(5-chlorothiophen-2-yl)-2-[(3-methoxyphenyl)methyl-methylamino]ethanone
CID 62029604
N-(1-adamantyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8794614
N-(3-aminopropyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-methylacetamide
CID 61420595
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 26509961
N-(cyclohexylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62558136
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(3-methoxyphenyl)methyl-methylamino]ethanone?
The IUPAC name of 1-cyclopropyl-2-[(3-methoxyphenyl)methyl-methylamino]ethanone (CID 63912379) is 1-cyclopropyl-2-[(3-methoxyphenyl)methyl-methylamino]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[(3-methoxyphenyl)methyl-methylamino]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[(3-methoxyphenyl)methyl-methylamino]ethanone is COc1cccc(CN(C)CC(=O)C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-2-[(3-methoxyphenyl)methyl-methylamino]ethanone?
The InChIKey is ASVCALJDABZNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-15(10-14(16)12-6-7-12)9-11-4-3-5-13(8-11)17-2/h3-5,8,12H,6-7,9-10H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-[(3-methoxyphenyl)methyl-methylamino]ethanone?
1-cyclopropyl-2-[(3-methoxyphenyl)methyl-methylamino]ethanone has a molecular weight of 233.31 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(3-methoxyphenyl)methyl-methylamino]ethanone is sourced from PubChem (CID 63912379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).