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

C15H24N2O2 — CID 43162465

IUPAC1-[2-(4-ethoxyphenoxy)ethyl]-1,4-diazepane
SMILESCCOc1ccc(OCCN2CCCNCC2)cc1
InChIInChI=1S/C15H24N2O2/c1-2-18-14-4-6-15(7-5-14)19-13-12-17-10-3-8-16-9-11-17/h4-7,16H,2-3,8-13H2,1H3
InChIKeyFSVDAIGMJCLVBQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.76
Rot. Bonds6

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

1-[2-(4-ethoxyphenoxy)ethyl]-1,4-diazepane (PubChem CID 43162465) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenoxy)ethyl]-1,4-diazepane.

Molecular Properties

Compound Name1-[2-(4-ethoxyphenoxy)ethyl]-1,4-diazepane
PubChem CID43162465
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[2-(4-ethoxyphenoxy)ethyl]-1,4-diazepane
SMILESCCOc1ccc(OCCN2CCCNCC2)cc1
InChIInChI=1S/C15H24N2O2/c1-2-18-14-4-6-15(7-5-14)19-13-12-17-10-3-8-16-9-11-17/h4-7,16H,2-3,8-13H2,1H3
InChIKeyFSVDAIGMJCLVBQ-UHFFFAOYSA-N
XLogP1.76
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methylphenoxy)ethyl]-1,4-diazepane
CID 43162601
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
1-[2-(2-ethoxyphenoxy)ethyl]-1,4-diazepane;hydrochloride
CID 119906010
1-[4-(4-ethoxyphenoxy)butyl]piperazine;oxalic acid
CID 2943850
4-[2-(4-ethoxyphenoxy)ethyl]piperazin-2-one
CID 8962129
1-[3-(4-ethoxy-2-ethylphenyl)propyl]-1,4-diazepane
CID 83941684
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633
1-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1,4-diazepane
CID 82091513
1-[2-(3-ethoxyphenoxy)ethyl]piperazine;oxalic acid
CID 2944385
1-[2-(4-ethoxyphenoxy)ethyl]-3-methylpiperazine
CID 65448827
1-[3-(3,4-dimethylphenoxy)propyl]-1,4-diazepane
CID 43162422
4-(2-piperazin-1-ylethoxy)benzaldehyde
CID 23009909

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyphenoxy)ethyl]-1,4-diazepane?
The IUPAC name of 1-[2-(4-ethoxyphenoxy)ethyl]-1,4-diazepane (CID 43162465) is 1-[2-(4-ethoxyphenoxy)ethyl]-1,4-diazepane.
What is the SMILES notation for 1-[2-(4-ethoxyphenoxy)ethyl]-1,4-diazepane?
The canonical SMILES for 1-[2-(4-ethoxyphenoxy)ethyl]-1,4-diazepane is CCOc1ccc(OCCN2CCCNCC2)cc1.
What is the InChIKey of 1-[2-(4-ethoxyphenoxy)ethyl]-1,4-diazepane?
The InChIKey is FSVDAIGMJCLVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-18-14-4-6-15(7-5-14)19-13-12-17-10-3-8-16-9-11-17/h4-7,16H,2-3,8-13H2,1H3.
What are the key properties of 1-[2-(4-ethoxyphenoxy)ethyl]-1,4-diazepane?
1-[2-(4-ethoxyphenoxy)ethyl]-1,4-diazepane has a molecular weight of 264.37 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxyphenoxy)ethyl]-1,4-diazepane is sourced from PubChem (CID 43162465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).