6-[(2,4-dimethoxyphenyl)methyl]-6-methyl-1,4-diazepane

C15H24N2O2 — CID 82486393

IUPAC6-[(2,4-dimethoxyphenyl)methyl]-6-methyl-1,4-diazepane
SMILESCOc1ccc(CC2(C)CNCCNC2)c(OC)c1
InChIInChI=1S/C15H24N2O2/c1-15(10-16-6-7-17-11-15)9-12-4-5-13(18-2)8-14(12)19-3/h4-5,8,16-17H,6-7,9-11H2,1-3H3
InChIKeyGPTJNEMBMCMSJF-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.45
Rot. Bonds4

About 6-[(2,4-dimethoxyphenyl)methyl]-6-methyl-1,4-diazepane

6-[(2,4-dimethoxyphenyl)methyl]-6-methyl-1,4-diazepane (PubChem CID 82486393) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 6-[(2,4-dimethoxyphenyl)methyl]-6-methyl-1,4-diazepane.

Molecular Properties

Compound Name6-[(2,4-dimethoxyphenyl)methyl]-6-methyl-1,4-diazepane
PubChem CID82486393
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name6-[(2,4-dimethoxyphenyl)methyl]-6-methyl-1,4-diazepane
SMILESCOc1ccc(CC2(C)CNCCNC2)c(OC)c1
InChIInChI=1S/C15H24N2O2/c1-15(10-16-6-7-17-11-15)9-12-4-5-13(18-2)8-14(12)19-3/h4-5,8,16-17H,6-7,9-11H2,1-3H3
InChIKeyGPTJNEMBMCMSJF-UHFFFAOYSA-N
XLogP1.45
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 63363044
N-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119705250
[3-[(2,4-dimethoxyphenyl)methyl]oxetan-3-yl]methanamine
CID 116930487
1-[(2,4-dimethoxyphenyl)methyl]-3,3-dimethyl-1,4-diazepane
CID 64951779
1-(iodomethyl)-2,4-dimethoxybenzene
CID 91883521
4-(2,5-dimethoxyphenyl)-4-methylpiperidine
CID 63156571
3-cyclopropyl-1-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperazine
CID 64955002
N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 55172188
2-[(2,4-dimethoxyphenyl)methyl]piperidine
CID 62800646
1-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-5,5-dimethylpiperazine
CID 64941015
6-[(5-ethyl-2-methoxyphenyl)methyl]-6-methyl-1,4-oxazepane
CID 82303326
1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;methane
CID 158953080

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dimethoxyphenyl)methyl]-6-methyl-1,4-diazepane?
The IUPAC name of 6-[(2,4-dimethoxyphenyl)methyl]-6-methyl-1,4-diazepane (CID 82486393) is 6-[(2,4-dimethoxyphenyl)methyl]-6-methyl-1,4-diazepane.
What is the SMILES notation for 6-[(2,4-dimethoxyphenyl)methyl]-6-methyl-1,4-diazepane?
The canonical SMILES for 6-[(2,4-dimethoxyphenyl)methyl]-6-methyl-1,4-diazepane is COc1ccc(CC2(C)CNCCNC2)c(OC)c1.
What is the InChIKey of 6-[(2,4-dimethoxyphenyl)methyl]-6-methyl-1,4-diazepane?
The InChIKey is GPTJNEMBMCMSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(10-16-6-7-17-11-15)9-12-4-5-13(18-2)8-14(12)19-3/h4-5,8,16-17H,6-7,9-11H2,1-3H3.
What are the key properties of 6-[(2,4-dimethoxyphenyl)methyl]-6-methyl-1,4-diazepane?
6-[(2,4-dimethoxyphenyl)methyl]-6-methyl-1,4-diazepane has a molecular weight of 264.37 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dimethoxyphenyl)methyl]-6-methyl-1,4-diazepane is sourced from PubChem (CID 82486393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).