1-(2-ethoxyphenyl)-4-methyl-1,5-diazocane

C15H24N2O — CID 54973542

IUPAC1-(2-ethoxyphenyl)-4-methyl-1,5-diazocane
SMILESCCOc1ccccc1N1CCCNC(C)CC1
InChIInChI=1S/C15H24N2O/c1-3-18-15-8-5-4-7-14(15)17-11-6-10-16-13(2)9-12-17/h4-5,7-8,13,16H,3,6,9-12H2,1-2H3
InChIKeyRQIGWQWHPVALSG-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.66
Rot. Bonds3

About 1-(2-ethoxyphenyl)-4-methyl-1,5-diazocane

1-(2-ethoxyphenyl)-4-methyl-1,5-diazocane (PubChem CID 54973542) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-4-methyl-1,5-diazocane.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-4-methyl-1,5-diazocane
PubChem CID54973542
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(2-ethoxyphenyl)-4-methyl-1,5-diazocane
SMILESCCOc1ccccc1N1CCCNC(C)CC1
InChIInChI=1S/C15H24N2O/c1-3-18-15-8-5-4-7-14(15)17-11-6-10-16-13(2)9-12-17/h4-5,7-8,13,16H,3,6,9-12H2,1-2H3
InChIKeyRQIGWQWHPVALSG-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-4-methyl-1,5-diazocane
CID 117014582
ethane;1-(2-ethoxyphenyl)piperazine
CID 142040905
[4-(2-ethoxyphenyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 119827324
1-(2,5-diethoxyphenyl)-3-methyl-1,4-diazepane
CID 64943477
1-[2-(3-ethoxypropoxy)phenyl]-1,4-diazepane
CID 65181009
1-(2,3-difluorophenyl)-4-methyl-1,5-diazocane
CID 55149225
(4aS,8aS)-4-(2-ethoxyphenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 124675917
1-[2-[(5-methyloxolan-2-yl)methoxy]phenyl]piperazine
CID 103137197
2-[1-(2-ethoxyphenyl)piperidin-3-yl]ethanamine
CID 117002698
[4-(2-ethoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone
CID 119827264
2-[1-(2-ethoxyphenyl)pyrrolidin-3-yl]ethanol
CID 117028471
1-(2-butoxyphenyl)pyrrolidine
CID 154391189

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-4-methyl-1,5-diazocane?
The IUPAC name of 1-(2-ethoxyphenyl)-4-methyl-1,5-diazocane (CID 54973542) is 1-(2-ethoxyphenyl)-4-methyl-1,5-diazocane.
What is the SMILES notation for 1-(2-ethoxyphenyl)-4-methyl-1,5-diazocane?
The canonical SMILES for 1-(2-ethoxyphenyl)-4-methyl-1,5-diazocane is CCOc1ccccc1N1CCCNC(C)CC1.
What is the InChIKey of 1-(2-ethoxyphenyl)-4-methyl-1,5-diazocane?
The InChIKey is RQIGWQWHPVALSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-18-15-8-5-4-7-14(15)17-11-6-10-16-13(2)9-12-17/h4-5,7-8,13,16H,3,6,9-12H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)-4-methyl-1,5-diazocane?
1-(2-ethoxyphenyl)-4-methyl-1,5-diazocane has a molecular weight of 248.37 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-4-methyl-1,5-diazocane is sourced from PubChem (CID 54973542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).