[1-(methylamino)cyclopropyl]methyl benzoate

C12H15NO2 — CID 155255956

IUPAC[1-(methylamino)cyclopropyl]methyl benzoate
SMILESCNC1(COC(=O)c2ccccc2)CC1
InChIInChI=1S/C12H15NO2/c1-13-12(7-8-12)9-15-11(14)10-5-3-2-4-6-10/h2-6,13H,7-9H2,1H3
InChIKeyLJUQVYQVKZSZBW-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.60
Rot. Bonds4

About [1-(methylamino)cyclopropyl]methyl benzoate

[1-(methylamino)cyclopropyl]methyl benzoate (PubChem CID 155255956) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is [1-(methylamino)cyclopropyl]methyl benzoate.

Molecular Properties

Compound Name[1-(methylamino)cyclopropyl]methyl benzoate
PubChem CID155255956
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name[1-(methylamino)cyclopropyl]methyl benzoate
SMILESCNC1(COC(=O)c2ccccc2)CC1
InChIInChI=1S/C12H15NO2/c1-13-12(7-8-12)9-15-11(14)10-5-3-2-4-6-10/h2-6,13H,7-9H2,1H3
InChIKeyLJUQVYQVKZSZBW-UHFFFAOYSA-N
XLogP1.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methylcyclopropyl)methyl benzoate
CID 10465127
1-(benzoyloxymethyl)cyclopropane-1-carboxylic acid
CID 174589063
[2-(methylamino)-2-oxoethyl] benzoate
CID 14033068
[2-(hydroxymethyl)-1,3-dioxan-2-yl]methyl benzoate
CID 59792406
methyl 3-(benzoyloxymethyl)bicyclo[1.1.0]butane-1-carboxylate
CID 12031311
(1-methylcyclopropyl) benzoate
CID 14416714
(2,2,4-trimethyl-1,3-dioxolan-4-yl)methyl benzoate
CID 163980482
[(2R,3S,4S)-3,4-dihydroxy-2-methyloxolan-2-yl]methyl benzoate
CID 170219507
(5-methyl-2-sulfanylidene-1,3-dioxan-5-yl)methyl benzoate
CID 86212389
2-(methylamino)ethyl benzoate
CID 158644589
[(1S,2S)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl benzoate
CID 155905212
11-(methylamino)undecyl benzoate
CID 177292547

Frequently Asked Questions

What is the IUPAC name of [1-(methylamino)cyclopropyl]methyl benzoate?
The IUPAC name of [1-(methylamino)cyclopropyl]methyl benzoate (CID 155255956) is [1-(methylamino)cyclopropyl]methyl benzoate.
What is the SMILES notation for [1-(methylamino)cyclopropyl]methyl benzoate?
The canonical SMILES for [1-(methylamino)cyclopropyl]methyl benzoate is CNC1(COC(=O)c2ccccc2)CC1.
What is the InChIKey of [1-(methylamino)cyclopropyl]methyl benzoate?
The InChIKey is LJUQVYQVKZSZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-13-12(7-8-12)9-15-11(14)10-5-3-2-4-6-10/h2-6,13H,7-9H2,1H3.
What are the key properties of [1-(methylamino)cyclopropyl]methyl benzoate?
[1-(methylamino)cyclopropyl]methyl benzoate has a molecular weight of 205.26 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylamino)cyclopropyl]methyl benzoate is sourced from PubChem (CID 155255956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).