6-methyl-1-(2-phenoxyethyl)-1,4-diazepane

C14H22N2O — CID 55017624

IUPAC6-methyl-1-(2-phenoxyethyl)-1,4-diazepane
SMILESCC1CNCCN(CCOc2ccccc2)C1
InChIInChI=1S/C14H22N2O/c1-13-11-15-7-8-16(12-13)9-10-17-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3
InChIKeyDCVXPSATZLCXHA-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.61
Rot. Bonds4

About 6-methyl-1-(2-phenoxyethyl)-1,4-diazepane

6-methyl-1-(2-phenoxyethyl)-1,4-diazepane (PubChem CID 55017624) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 6-methyl-1-(2-phenoxyethyl)-1,4-diazepane.

Molecular Properties

Compound Name6-methyl-1-(2-phenoxyethyl)-1,4-diazepane
PubChem CID55017624
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name6-methyl-1-(2-phenoxyethyl)-1,4-diazepane
SMILESCC1CNCCN(CCOc2ccccc2)C1
InChIInChI=1S/C14H22N2O/c1-13-11-15-7-8-16(12-13)9-10-17-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3
InChIKeyDCVXPSATZLCXHA-UHFFFAOYSA-N
XLogP1.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methyl-1-(2-phenoxyethyl)-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-(3-phenoxypropyl)piperazine
CID 2760351
(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperazine
CID 104977061
1-(2-phenoxyethyl)-3-propan-2-yl-1,4-diazepane
CID 64856673
(2R)-2-methyl-1-(2-phenoxyethyl)aziridine
CID 122210723
1-[2-(4-ethoxyphenoxy)ethyl]-3-methylpiperazine
CID 65448827
(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidine
CID 2182296
1-(3-phenoxypropyl)-2-propan-2-ylpiperazine
CID 64832939
2-cyclopropyl-1-(3-phenoxypropyl)piperazine
CID 64833541
(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpiperazine
CID 96925924
(3S)-1-[2-(4-bromophenoxy)ethyl]-3-methylpiperazine
CID 104977117
(1S,5R)-6-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane;dihydrochloride
CID 154894846
(3S)-3-methyl-1-[2-(3-methylphenoxy)ethyl]piperazine
CID 51980514

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2-phenoxyethyl)-1,4-diazepane?
The IUPAC name of 6-methyl-1-(2-phenoxyethyl)-1,4-diazepane (CID 55017624) is 6-methyl-1-(2-phenoxyethyl)-1,4-diazepane.
What is the SMILES notation for 6-methyl-1-(2-phenoxyethyl)-1,4-diazepane?
The canonical SMILES for 6-methyl-1-(2-phenoxyethyl)-1,4-diazepane is CC1CNCCN(CCOc2ccccc2)C1.
What is the InChIKey of 6-methyl-1-(2-phenoxyethyl)-1,4-diazepane?
The InChIKey is DCVXPSATZLCXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-13-11-15-7-8-16(12-13)9-10-17-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3.
What are the key properties of 6-methyl-1-(2-phenoxyethyl)-1,4-diazepane?
6-methyl-1-(2-phenoxyethyl)-1,4-diazepane has a molecular weight of 234.34 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2-phenoxyethyl)-1,4-diazepane is sourced from PubChem (CID 55017624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).