2-(3,4-dimethoxyphenyl)-1,3-diazinane

C12H18N2O2 — CID 86188802

IUPAC2-(3,4-dimethoxyphenyl)-1,3-diazinane
SMILESCOc1ccc(C2NCCCN2)cc1OC
InChIInChI=1S/C12H18N2O2/c1-15-10-5-4-9(8-11(10)16-2)12-13-6-3-7-14-12/h4-5,8,12-14H,3,6-7H2,1-2H3
InChIKeyMNNKYHUOOQODGK-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.29
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)-1,3-diazinane

2-(3,4-dimethoxyphenyl)-1,3-diazinane (PubChem CID 86188802) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1,3-diazinane.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1,3-diazinane
PubChem CID86188802
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(3,4-dimethoxyphenyl)-1,3-diazinane
SMILESCOc1ccc(C2NCCCN2)cc1OC
InChIInChI=1S/C12H18N2O2/c1-15-10-5-4-9(8-11(10)16-2)12-13-6-3-7-14-12/h4-5,8,12-14H,3,6-7H2,1-2H3
InChIKeyMNNKYHUOOQODGK-UHFFFAOYSA-N
XLogP1.29
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171194815
2-(3,4-dimethoxyphenyl)-1,3-thiazolidine
CID 3050896
4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
CID 71406141
3-(3,4-dimethoxyphenyl)azetidine
CID 75355862
azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558
2-(4-cyclopentyloxy-3-methoxyphenyl)piperidine
CID 117440861
(2R)-2-(3-methoxy-4-propan-2-yloxyphenyl)pyrrolidine
CID 66519768
(3R)-3-(3,4-dimethoxyphenyl)morpholine
CID 42183336
(5R)-5-(3,4-dimethoxyphenyl)piperazin-2-one
CID 97015434
2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-diazinane
CID 160572472
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]pyrrolidine
CID 117371452
(1S)-1-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 42054648

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1,3-diazinane?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1,3-diazinane (CID 86188802) is 2-(3,4-dimethoxyphenyl)-1,3-diazinane.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1,3-diazinane?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1,3-diazinane is COc1ccc(C2NCCCN2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1,3-diazinane?
The InChIKey is MNNKYHUOOQODGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-15-10-5-4-9(8-11(10)16-2)12-13-6-3-7-14-12/h4-5,8,12-14H,3,6-7H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1,3-diazinane?
2-(3,4-dimethoxyphenyl)-1,3-diazinane has a molecular weight of 222.29 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1,3-diazinane is sourced from PubChem (CID 86188802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).