1-(4-chloro-3-methoxyphenyl)-3-ethyl-3-methyl-1,4-diazepane

C15H23ClN2O — CID 107623388

IUPAC1-(4-chloro-3-methoxyphenyl)-3-ethyl-3-methyl-1,4-diazepane
SMILESCCC1(C)CN(c2ccc(Cl)c(OC)c2)CCCN1
InChIInChI=1S/C15H23ClN2O/c1-4-15(2)11-18(9-5-8-17-15)12-6-7-13(16)14(10-12)19-3/h6-7,10,17H,4-5,8-9,11H2,1-3H3
InChIKeyDMUUGBWEILQNJH-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.32
Rot. Bonds3

About 1-(4-chloro-3-methoxyphenyl)-3-ethyl-3-methyl-1,4-diazepane

1-(4-chloro-3-methoxyphenyl)-3-ethyl-3-methyl-1,4-diazepane (PubChem CID 107623388) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-3-ethyl-3-methyl-1,4-diazepane.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-3-ethyl-3-methyl-1,4-diazepane
PubChem CID107623388
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name1-(4-chloro-3-methoxyphenyl)-3-ethyl-3-methyl-1,4-diazepane
SMILESCCC1(C)CN(c2ccc(Cl)c(OC)c2)CCCN1
InChIInChI=1S/C15H23ClN2O/c1-4-15(2)11-18(9-5-8-17-15)12-6-7-13(16)14(10-12)19-3/h6-7,10,17H,4-5,8-9,11H2,1-3H3
InChIKeyDMUUGBWEILQNJH-UHFFFAOYSA-N
XLogP3.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorophenyl)-3-ethyl-3-methyl-1,4-diazepane
CID 64945535
1-(4-chloro-3-methoxyphenyl)piperazine;propane
CID 145414306
3-ethyl-3-methyl-1-naphthalen-2-yl-1,4-diazepane
CID 64949149
3-ethyl-1-(3-fluoro-4-methylphenyl)-3-methyl-1,4-diazepane
CID 64943895
1-(3,4-dimethylphenyl)-3-ethyl-3-methylpiperazine
CID 64926797
3-ethyl-3-methyl-1-(3-methylsulfanylphenyl)-1,4-diazepane
CID 64943561
1-(3-chloro-5-fluorophenyl)-3-ethyl-3-methyl-1,4-diazepane
CID 107370824
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-ethyl-3-methyl-1,4-diazepane
CID 64943675
4-(4-chloro-3-methoxyphenyl)-1,2,2,7,7-pentamethyl-1,4-diazepane;hydrochloride
CID 67096258
3-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)-1,4-diazepane
CID 107586903
1-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-3-methyl-1,4-diazepane
CID 64871718
1-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-3-methylpiperazine
CID 64924494

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-3-ethyl-3-methyl-1,4-diazepane?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-3-ethyl-3-methyl-1,4-diazepane (CID 107623388) is 1-(4-chloro-3-methoxyphenyl)-3-ethyl-3-methyl-1,4-diazepane.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-3-ethyl-3-methyl-1,4-diazepane?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-3-ethyl-3-methyl-1,4-diazepane is CCC1(C)CN(c2ccc(Cl)c(OC)c2)CCCN1.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-3-ethyl-3-methyl-1,4-diazepane?
The InChIKey is DMUUGBWEILQNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-4-15(2)11-18(9-5-8-17-15)12-6-7-13(16)14(10-12)19-3/h6-7,10,17H,4-5,8-9,11H2,1-3H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-3-ethyl-3-methyl-1,4-diazepane?
1-(4-chloro-3-methoxyphenyl)-3-ethyl-3-methyl-1,4-diazepane has a molecular weight of 282.81 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-3-ethyl-3-methyl-1,4-diazepane is sourced from PubChem (CID 107623388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).