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

C15H24N2O — CID 82086944

IUPAC1-[2-(2-methoxyphenyl)propyl]-1,4-diazepane
SMILESCOc1ccccc1C(C)CN1CCCNCC1
InChIInChI=1S/C15H24N2O/c1-13(12-17-10-5-8-16-9-11-17)14-6-3-4-7-15(14)18-2/h3-4,6-7,13,16H,5,8-12H2,1-2H3
InChIKeySUAKYYRDTFNLDR-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.09
Rot. Bonds4

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

1-[2-(2-methoxyphenyl)propyl]-1,4-diazepane (PubChem CID 82086944) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)propyl]-1,4-diazepane.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)propyl]-1,4-diazepane
PubChem CID82086944
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[2-(2-methoxyphenyl)propyl]-1,4-diazepane
SMILESCOc1ccccc1C(C)CN1CCCNCC1
InChIInChI=1S/C15H24N2O/c1-13(12-17-10-5-8-16-9-11-17)14-6-3-4-7-15(14)18-2/h3-4,6-7,13,16H,5,8-12H2,1-2H3
InChIKeySUAKYYRDTFNLDR-UHFFFAOYSA-N
XLogP2.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2-methoxyphenyl)propyl]-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-[(2S)-2-fluoro-2-(2-methoxyphenyl)ethyl]piperazine
CID 129493112
1-[1-(2-methoxyphenyl)ethyl]-1,4-diazepane
CID 3722689
2-(1-piperazin-1-ylpropan-2-yl)phenol
CID 83837907
1-[2-(2-methylphenyl)propyl]piperazine
CID 82509211
1-(2-naphthalen-1-ylpropyl)piperazine
CID 116964774
1-[2-(4-fluorophenyl)propyl]-1,4-diazepane;hydrochloride
CID 120834349
3-(2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide
CID 119445732
1-[2-(4-bromophenyl)propyl]-1,4-diazepane
CID 82094588
1-[bis(2-methoxyphenyl)methyl]piperazine
CID 5183937
1-[2-(2-chloro-4-methoxyphenyl)propyl]piperazine
CID 82305391
1-[2-(2-butan-2-ylphenoxy)ethyl]piperazine
CID 2943811
1-[(E)-4-(2-methoxyphenyl)but-3-enyl]-1,4-diazepane
CID 95466933

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)propyl]-1,4-diazepane?
The IUPAC name of 1-[2-(2-methoxyphenyl)propyl]-1,4-diazepane (CID 82086944) is 1-[2-(2-methoxyphenyl)propyl]-1,4-diazepane.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)propyl]-1,4-diazepane?
The canonical SMILES for 1-[2-(2-methoxyphenyl)propyl]-1,4-diazepane is COc1ccccc1C(C)CN1CCCNCC1.
What is the InChIKey of 1-[2-(2-methoxyphenyl)propyl]-1,4-diazepane?
The InChIKey is SUAKYYRDTFNLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13(12-17-10-5-8-16-9-11-17)14-6-3-4-7-15(14)18-2/h3-4,6-7,13,16H,5,8-12H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyphenyl)propyl]-1,4-diazepane?
1-[2-(2-methoxyphenyl)propyl]-1,4-diazepane has a molecular weight of 248.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)propyl]-1,4-diazepane is sourced from PubChem (CID 82086944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).