1-(2-methoxy-5-methylphenyl)-7-methyl-1,4-diazepane

C14H22N2O — CID 82290876

IUPAC1-(2-methoxy-5-methylphenyl)-7-methyl-1,4-diazepane
SMILESCOc1ccc(C)cc1N1CCNCCC1C
InChIInChI=1S/C14H22N2O/c1-11-4-5-14(17-3)13(10-11)16-9-8-15-7-6-12(16)2/h4-5,10,12,15H,6-9H2,1-3H3
InChIKeyRANQYBCQRRIGIS-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.19
Rot. Bonds2

About 1-(2-methoxy-5-methylphenyl)-7-methyl-1,4-diazepane

1-(2-methoxy-5-methylphenyl)-7-methyl-1,4-diazepane (PubChem CID 82290876) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-7-methyl-1,4-diazepane.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-7-methyl-1,4-diazepane
PubChem CID82290876
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(2-methoxy-5-methylphenyl)-7-methyl-1,4-diazepane
SMILESCOc1ccc(C)cc1N1CCNCCC1C
InChIInChI=1S/C14H22N2O/c1-11-4-5-14(17-3)13(10-11)16-9-8-15-7-6-12(16)2/h4-5,10,12,15H,6-9H2,1-3H3
InChIKeyRANQYBCQRRIGIS-UHFFFAOYSA-N
XLogP2.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-7-methyl-1,4-diazepane?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-7-methyl-1,4-diazepane (CID 82290876) is 1-(2-methoxy-5-methylphenyl)-7-methyl-1,4-diazepane.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-7-methyl-1,4-diazepane?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-7-methyl-1,4-diazepane is COc1ccc(C)cc1N1CCNCCC1C.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-7-methyl-1,4-diazepane?
The InChIKey is RANQYBCQRRIGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-4-5-14(17-3)13(10-11)16-9-8-15-7-6-12(16)2/h4-5,10,12,15H,6-9H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-7-methyl-1,4-diazepane?
1-(2-methoxy-5-methylphenyl)-7-methyl-1,4-diazepane has a molecular weight of 234.34 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-7-methyl-1,4-diazepane is sourced from PubChem (CID 82290876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).