2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-diazinane

C13H20N2O — CID 160572472

IUPAC2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-diazinane
SMILESCOc1ccc(C2NCC(C)CN2)cc1C
InChIInChI=1S/C13H20N2O/c1-9-7-14-13(15-8-9)11-4-5-12(16-3)10(2)6-11/h4-6,9,13-15H,7-8H2,1-3H3
InChIKeyRASNNYRFUVSALX-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.83
Rot. Bonds2

About 2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-diazinane

2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-diazinane (PubChem CID 160572472) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-diazinane.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-diazinane
PubChem CID160572472
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-diazinane
SMILESCOc1ccc(C2NCC(C)CN2)cc1C
InChIInChI=1S/C13H20N2O/c1-9-7-14-13(15-8-9)11-4-5-12(16-3)10(2)6-11/h4-6,9,13-15H,7-8H2,1-3H3
InChIKeyRASNNYRFUVSALX-UHFFFAOYSA-N
XLogP1.83
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazolidine
CID 66241618
(2R)-2-(4-methoxy-3-methylphenyl)azetidine
CID 130665442
5-methyl-2-(4-methylphenyl)-1,3-diazinane
CID 20673851
4-hydroxy-6-(4-methoxy-3-methylphenyl)piperidine-3-carboxylic acid
CID 82667166
2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 17407034
2-(3,4-dimethoxyphenyl)-1,3-diazinane
CID 86188802
4-(4-methoxy-3-methylphenyl)-1-methylpiperidine
CID 143502114
(2S,4S)-2-(3,4-dimethylphenyl)-4-methylpyrrolidine
CID 96625235
[2-(4-methoxy-3-methylphenyl)cyclopropyl]methanol
CID 81357282
5-(4-methoxy-3-methylphenyl)-2-methylpyrazolidin-3-ol
CID 118300666
N-(4-methoxy-3-methylphenyl)-N-methylazetidin-3-amine
CID 117040526
2-(4-methoxy-3-methylphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 5224986

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-diazinane?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-diazinane (CID 160572472) is 2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-diazinane.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-diazinane?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-diazinane is COc1ccc(C2NCC(C)CN2)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-diazinane?
The InChIKey is RASNNYRFUVSALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-7-14-13(15-8-9)11-4-5-12(16-3)10(2)6-11/h4-6,9,13-15H,7-8H2,1-3H3.
What are the key properties of 2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-diazinane?
2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-diazinane has a molecular weight of 220.32 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-diazinane is sourced from PubChem (CID 160572472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).