1-[2-(4-methoxyphenoxy)ethyl]-2-propan-2-yl-1,4-diazepane

C17H28N2O2 — CID 82251090

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-2-propan-2-yl-1,4-diazepane
SMILESCOc1ccc(OCCN2CCCNCC2C(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-14(2)17-13-18-9-4-10-19(17)11-12-21-16-7-5-15(20-3)6-8-16/h5-8,14,17-18H,4,9-13H2,1-3H3
InChIKeyNGNRYFPVFLTVBI-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.39
Rot. Bonds6

About 1-[2-(4-methoxyphenoxy)ethyl]-2-propan-2-yl-1,4-diazepane

1-[2-(4-methoxyphenoxy)ethyl]-2-propan-2-yl-1,4-diazepane (PubChem CID 82251090) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-2-propan-2-yl-1,4-diazepane.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-2-propan-2-yl-1,4-diazepane
PubChem CID82251090
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-2-propan-2-yl-1,4-diazepane
SMILESCOc1ccc(OCCN2CCCNCC2C(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-14(2)17-13-18-9-4-10-19(17)11-12-21-16-7-5-15(20-3)6-8-16/h5-8,14,17-18H,4,9-13H2,1-3H3
InChIKeyNGNRYFPVFLTVBI-UHFFFAOYSA-N
XLogP2.39
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-methylphenoxy)butyl]-2-propan-2-ylpiperazine
CID 82250820
1-(3-phenoxypropyl)-2-propan-2-ylpiperazine
CID 64832939
1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911308
(2R)-1-[2-(4-methoxyphenoxy)ethyl]-2-methylpiperidine
CID 166625466
[1-(2-phenoxyethyl)-1,4-diazepan-2-yl]methanol
CID 82244905
1-[2-(4-methoxyphenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120871137
1-[(2-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylpiperazine
CID 102879474
1-[2-(4-chlorophenoxy)ethyl]-2-(2-methylpropyl)piperazine
CID 82251821
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
3-[1-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62467287
3-[2-(4-methoxyphenoxy)ethylsulfanyl]piperidine
CID 84755004
1-[2-(4-methoxyphenoxy)ethyl]-4-propan-2-ylpiperazine
CID 47010456

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-2-propan-2-yl-1,4-diazepane?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-2-propan-2-yl-1,4-diazepane (CID 82251090) is 1-[2-(4-methoxyphenoxy)ethyl]-2-propan-2-yl-1,4-diazepane.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-2-propan-2-yl-1,4-diazepane?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-2-propan-2-yl-1,4-diazepane is COc1ccc(OCCN2CCCNCC2C(C)C)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-2-propan-2-yl-1,4-diazepane?
The InChIKey is NGNRYFPVFLTVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-14(2)17-13-18-9-4-10-19(17)11-12-21-16-7-5-15(20-3)6-8-16/h5-8,14,17-18H,4,9-13H2,1-3H3.
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-2-propan-2-yl-1,4-diazepane?
1-[2-(4-methoxyphenoxy)ethyl]-2-propan-2-yl-1,4-diazepane has a molecular weight of 292.42 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-2-propan-2-yl-1,4-diazepane is sourced from PubChem (CID 82251090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).