1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepane

C15H24N2O2 — CID 763014

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepane
SMILESCOc1ccc(CN2CCCN(C)CC2)c(OC)c1
InChIInChI=1S/C15H24N2O2/c1-16-7-4-8-17(10-9-16)12-13-5-6-14(18-2)11-15(13)19-3/h5-6,11H,4,7-10,12H2,1-3H3
InChIKeyXVRHKHGKCZWMNN-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.84
Rot. Bonds4

About 1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepane

1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepane (PubChem CID 763014) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepane.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepane
PubChem CID763014
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepane
SMILESCOc1ccc(CN2CCCN(C)CC2)c(OC)c1
InChIInChI=1S/C15H24N2O2/c1-16-7-4-8-17(10-9-16)12-13-5-6-14(18-2)11-15(13)19-3/h5-6,11H,4,7-10,12H2,1-3H3
InChIKeyXVRHKHGKCZWMNN-UHFFFAOYSA-N
XLogP1.84
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepane?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepane (CID 763014) is 1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepane.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepane?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepane is COc1ccc(CN2CCCN(C)CC2)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepane?
The InChIKey is XVRHKHGKCZWMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-16-7-4-8-17(10-9-16)12-13-5-6-14(18-2)11-15(13)19-3/h5-6,11H,4,7-10,12H2,1-3H3.
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepane?
1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepane has a molecular weight of 264.37 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepane is sourced from PubChem (CID 763014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).