1-[1-(2-methoxyphenyl)ethyl]-1,4-diazepane

C14H22N2O — CID 3722689

IUPAC1-[1-(2-methoxyphenyl)ethyl]-1,4-diazepane
SMILESCOc1ccccc1C(C)N1CCCNCC1
InChIInChI=1S/C14H22N2O/c1-12(16-10-5-8-15-9-11-16)13-6-3-4-7-14(13)17-2/h3-4,6-7,12,15H,5,8-11H2,1-2H3
InChIKeyUZANXFOKZHRDNK-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.05
Rot. Bonds3

About 1-[1-(2-methoxyphenyl)ethyl]-1,4-diazepane

1-[1-(2-methoxyphenyl)ethyl]-1,4-diazepane (PubChem CID 3722689) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[1-(2-methoxyphenyl)ethyl]-1,4-diazepane.

Molecular Properties

Compound Name1-[1-(2-methoxyphenyl)ethyl]-1,4-diazepane
PubChem CID3722689
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[1-(2-methoxyphenyl)ethyl]-1,4-diazepane
SMILESCOc1ccccc1C(C)N1CCCNCC1
InChIInChI=1S/C14H22N2O/c1-12(16-10-5-8-15-9-11-16)13-6-3-4-7-14(13)17-2/h3-4,6-7,12,15H,5,8-11H2,1-2H3
InChIKeyUZANXFOKZHRDNK-UHFFFAOYSA-N
XLogP2.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2-methoxyphenyl)ethyl]-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

Related Compounds

1-[1-(2,5-dimethoxyphenyl)ethyl]-1,4-diazepane
CID 3724554
1-[1-(2-methoxy-4,5-dimethylphenyl)ethyl]-1,4-diazepane
CID 82302974
1-[1-(2-fluorophenyl)ethyl]-1,4-diazepane
CID 3818846
1-[bis(2-methoxyphenyl)methyl]piperazine
CID 5183937
1-[(1S)-1-(2-ethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171275548
1-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171164703
1-[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride
CID 171296885
1-[2-(2-methoxyphenyl)propyl]-1,4-diazepane
CID 82086944
1-[(2,3-dimethoxyphenyl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane
CID 5159429
1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171286734
1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171274106
1-[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]piperazine
CID 92754399

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyphenyl)ethyl]-1,4-diazepane?
The IUPAC name of 1-[1-(2-methoxyphenyl)ethyl]-1,4-diazepane (CID 3722689) is 1-[1-(2-methoxyphenyl)ethyl]-1,4-diazepane.
What is the SMILES notation for 1-[1-(2-methoxyphenyl)ethyl]-1,4-diazepane?
The canonical SMILES for 1-[1-(2-methoxyphenyl)ethyl]-1,4-diazepane is COc1ccccc1C(C)N1CCCNCC1.
What is the InChIKey of 1-[1-(2-methoxyphenyl)ethyl]-1,4-diazepane?
The InChIKey is UZANXFOKZHRDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-12(16-10-5-8-15-9-11-16)13-6-3-4-7-14(13)17-2/h3-4,6-7,12,15H,5,8-11H2,1-2H3.
What are the key properties of 1-[1-(2-methoxyphenyl)ethyl]-1,4-diazepane?
1-[1-(2-methoxyphenyl)ethyl]-1,4-diazepane has a molecular weight of 234.34 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyphenyl)ethyl]-1,4-diazepane is sourced from PubChem (CID 3722689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).