1-[1-(2,5-dimethoxyphenyl)ethyl]-1,4-diazepane

C15H24N2O2 — CID 3724554

IUPAC1-[1-(2,5-dimethoxyphenyl)ethyl]-1,4-diazepane
SMILESCOc1ccc(OC)c(C(C)N2CCCNCC2)c1
InChIInChI=1S/C15H24N2O2/c1-12(17-9-4-7-16-8-10-17)14-11-13(18-2)5-6-15(14)19-3/h5-6,11-12,16H,4,7-10H2,1-3H3
InChIKeyUYZULWOHCQQISL-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.06
Rot. Bonds4

About 1-[1-(2,5-dimethoxyphenyl)ethyl]-1,4-diazepane

1-[1-(2,5-dimethoxyphenyl)ethyl]-1,4-diazepane (PubChem CID 3724554) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[1-(2,5-dimethoxyphenyl)ethyl]-1,4-diazepane.

Molecular Properties

Compound Name1-[1-(2,5-dimethoxyphenyl)ethyl]-1,4-diazepane
PubChem CID3724554
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[1-(2,5-dimethoxyphenyl)ethyl]-1,4-diazepane
SMILESCOc1ccc(OC)c(C(C)N2CCCNCC2)c1
InChIInChI=1S/C15H24N2O2/c1-12(17-9-4-7-16-8-10-17)14-11-13(18-2)5-6-15(14)19-3/h5-6,11-12,16H,4,7-10H2,1-3H3
InChIKeyUYZULWOHCQQISL-UHFFFAOYSA-N
XLogP2.06
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171274106
1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171286734
1-[1-(2-methoxyphenyl)ethyl]-1,4-diazepane
CID 3722689
1-[1-(2-methoxy-4,5-dimethylphenyl)ethyl]-1,4-diazepane
CID 82302974
1-[(5-chloro-2-methoxyphenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane
CID 3847028
1-[(1S)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethyl]piperazine;dihydrochloride
CID 171279670
1-(2,5-dimethoxyphenyl)-2-piperazin-1-ylpropan-1-ol
CID 82265663
1-[(4-bromophenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane
CID 4264818
1-[(2,5-dimethoxyphenyl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 3702871
1-[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]piperazine
CID 92754399
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)ethyl]piperazine;dihydrochloride
CID 171296852
1-[(1S)-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171166365

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethoxyphenyl)ethyl]-1,4-diazepane?
The IUPAC name of 1-[1-(2,5-dimethoxyphenyl)ethyl]-1,4-diazepane (CID 3724554) is 1-[1-(2,5-dimethoxyphenyl)ethyl]-1,4-diazepane.
What is the SMILES notation for 1-[1-(2,5-dimethoxyphenyl)ethyl]-1,4-diazepane?
The canonical SMILES for 1-[1-(2,5-dimethoxyphenyl)ethyl]-1,4-diazepane is COc1ccc(OC)c(C(C)N2CCCNCC2)c1.
What is the InChIKey of 1-[1-(2,5-dimethoxyphenyl)ethyl]-1,4-diazepane?
The InChIKey is UYZULWOHCQQISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(17-9-4-7-16-8-10-17)14-11-13(18-2)5-6-15(14)19-3/h5-6,11-12,16H,4,7-10H2,1-3H3.
What are the key properties of 1-[1-(2,5-dimethoxyphenyl)ethyl]-1,4-diazepane?
1-[1-(2,5-dimethoxyphenyl)ethyl]-1,4-diazepane has a molecular weight of 264.37 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethoxyphenyl)ethyl]-1,4-diazepane is sourced from PubChem (CID 3724554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).