(3-aminoazetidin-1-yl)-(2,5-dimethoxyphenyl)methanone

C12H16N2O3 — CID 63755995

IUPAC(3-aminoazetidin-1-yl)-(2,5-dimethoxyphenyl)methanone
SMILESCOc1ccc(OC)c(C(=O)N2CC(N)C2)c1
InChIInChI=1S/C12H16N2O3/c1-16-9-3-4-11(17-2)10(5-9)12(15)14-6-8(13)7-14/h3-5,8H,6-7,13H2,1-2H3
InChIKeyJOJQOGMYVRFUTN-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.49
Rot. Bonds3

About (3-aminoazetidin-1-yl)-(2,5-dimethoxyphenyl)methanone

(3-aminoazetidin-1-yl)-(2,5-dimethoxyphenyl)methanone (PubChem CID 63755995) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (3-aminoazetidin-1-yl)-(2,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-aminoazetidin-1-yl)-(2,5-dimethoxyphenyl)methanone
PubChem CID63755995
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(3-aminoazetidin-1-yl)-(2,5-dimethoxyphenyl)methanone
SMILESCOc1ccc(OC)c(C(=O)N2CC(N)C2)c1
InChIInChI=1S/C12H16N2O3/c1-16-9-3-4-11(17-2)10(5-9)12(15)14-6-8(13)7-14/h3-5,8H,6-7,13H2,1-2H3
InChIKeyJOJQOGMYVRFUTN-UHFFFAOYSA-N
XLogP0.49
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminoazetidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone
CID 65244224
(2,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 39910406
(4-amino-3-methylpiperidin-1-yl)-(2,5-dimethoxyphenyl)methanone
CID 79880599
[3-(aminomethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone;hydrochloride
CID 119464934
(2,5-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422311
(2,5-dimethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66262175
[3-(chloromethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone
CID 63392981
[3-(2-aminoethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone;hydrochloride
CID 120727504
1-(2,5-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119203
(2,5-dimethoxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62355921
(2,5-dimethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119401629
(3S)-1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 51885492

Frequently Asked Questions

What is the IUPAC name of (3-aminoazetidin-1-yl)-(2,5-dimethoxyphenyl)methanone?
The IUPAC name of (3-aminoazetidin-1-yl)-(2,5-dimethoxyphenyl)methanone (CID 63755995) is (3-aminoazetidin-1-yl)-(2,5-dimethoxyphenyl)methanone.
What is the SMILES notation for (3-aminoazetidin-1-yl)-(2,5-dimethoxyphenyl)methanone?
The canonical SMILES for (3-aminoazetidin-1-yl)-(2,5-dimethoxyphenyl)methanone is COc1ccc(OC)c(C(=O)N2CC(N)C2)c1.
What is the InChIKey of (3-aminoazetidin-1-yl)-(2,5-dimethoxyphenyl)methanone?
The InChIKey is JOJQOGMYVRFUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-16-9-3-4-11(17-2)10(5-9)12(15)14-6-8(13)7-14/h3-5,8H,6-7,13H2,1-2H3.
What are the key properties of (3-aminoazetidin-1-yl)-(2,5-dimethoxyphenyl)methanone?
(3-aminoazetidin-1-yl)-(2,5-dimethoxyphenyl)methanone has a molecular weight of 236.27 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminoazetidin-1-yl)-(2,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 63755995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).