5-(2-methoxyphenyl)-1-methyl-1,4-diazepane

C13H20N2O — CID 82286361

IUPAC5-(2-methoxyphenyl)-1-methyl-1,4-diazepane
SMILESCOc1ccccc1C1CCN(C)CCN1
InChIInChI=1S/C13H20N2O/c1-15-9-7-12(14-8-10-15)11-5-3-4-6-13(11)16-2/h3-6,12,14H,7-10H2,1-2H3
InChIKeyKDVLWQIMMUSSDF-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.66
Rot. Bonds2

About 5-(2-methoxyphenyl)-1-methyl-1,4-diazepane

5-(2-methoxyphenyl)-1-methyl-1,4-diazepane (PubChem CID 82286361) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-1-methyl-1,4-diazepane.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-1-methyl-1,4-diazepane
PubChem CID82286361
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name5-(2-methoxyphenyl)-1-methyl-1,4-diazepane
SMILESCOc1ccccc1C1CCN(C)CCN1
InChIInChI=1S/C13H20N2O/c1-15-9-7-12(14-8-10-15)11-5-3-4-6-13(11)16-2/h3-6,12,14H,7-10H2,1-2H3
InChIKeyKDVLWQIMMUSSDF-UHFFFAOYSA-N
XLogP1.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-methoxyphenyl)azetidine
CID 92670019
(2R)-2-(2-methoxyphenyl)pyrrolidine
CID 7047810
5,12-bis(2-methoxyphenyl)-7,14-dimethyl-1,4,8,11-tetrazacyclotetradecane
CID 102149859
5-methoxy-2-(2-methoxyphenyl)piperidine
CID 105477691
3-(2-methoxyphenyl)-1,4-thiazepane 1,1-dioxide
CID 66217554
5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-1,4-diazepane
CID 82623051
N-[3-(2-methoxyphenyl)cyclobutyl]-1-methylpiperidin-4-amine
CID 43635379
3-(2-methoxy-5-methylphenyl)-1-methylpiperazine
CID 82114400
[2-(2-methoxyphenyl)piperidin-4-yl]methanol
CID 105477698
1-methyl-4-[[2-[(2R)-pyrrolidin-2-yl]phenyl]methyl]piperidine
CID 150704826
1-methyl-5-(4-methylphenyl)-1,4-diazepane
CID 82282903
[2-(2-methoxyphenyl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone;dihydrochloride
CID 120733424

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-1-methyl-1,4-diazepane?
The IUPAC name of 5-(2-methoxyphenyl)-1-methyl-1,4-diazepane (CID 82286361) is 5-(2-methoxyphenyl)-1-methyl-1,4-diazepane.
What is the SMILES notation for 5-(2-methoxyphenyl)-1-methyl-1,4-diazepane?
The canonical SMILES for 5-(2-methoxyphenyl)-1-methyl-1,4-diazepane is COc1ccccc1C1CCN(C)CCN1.
What is the InChIKey of 5-(2-methoxyphenyl)-1-methyl-1,4-diazepane?
The InChIKey is KDVLWQIMMUSSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-15-9-7-12(14-8-10-15)11-5-3-4-6-13(11)16-2/h3-6,12,14H,7-10H2,1-2H3.
What are the key properties of 5-(2-methoxyphenyl)-1-methyl-1,4-diazepane?
5-(2-methoxyphenyl)-1-methyl-1,4-diazepane has a molecular weight of 220.32 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-1-methyl-1,4-diazepane is sourced from PubChem (CID 82286361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).