1-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,5-diazocane

C16H26N2O — CID 106261953

IUPAC1-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,5-diazocane
SMILESCOc1ccccc1CCN1CCCNC(C)CC1
InChIInChI=1S/C16H26N2O/c1-14-8-12-18(11-5-10-17-14)13-9-15-6-3-4-7-16(15)19-2/h3-4,6-7,14,17H,5,8-13H2,1-2H3
InChIKeyBSDVHCBNFXGXRI-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.31
Rot. Bonds4

About 1-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,5-diazocane

1-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,5-diazocane (PubChem CID 106261953) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,5-diazocane.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,5-diazocane
PubChem CID106261953
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,5-diazocane
SMILESCOc1ccccc1CCN1CCCNC(C)CC1
InChIInChI=1S/C16H26N2O/c1-14-8-12-18(11-5-10-17-14)13-9-15-6-3-4-7-16(15)19-2/h3-4,6-7,14,17H,5,8-13H2,1-2H3
InChIKeyBSDVHCBNFXGXRI-UHFFFAOYSA-N
XLogP2.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547
1-[2-(2-methoxyphenyl)ethyl]piperidin-3-amine
CID 82159159
2-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]ethanol
CID 94276618
3-tert-butyl-1-[2-(2-methoxyphenyl)ethyl]piperazine
CID 106261625
1-[2-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine
CID 75030496
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methyl-1,4-diazepane
CID 113453941
1-cyclopentylsulfonyl-4-[2-(2-methoxyphenyl)ethyl]piperazine
CID 110411428
1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine;dihydrochloride
CID 155541951
1-[2-(2-methoxyphenyl)ethyl]piperidin-3-one
CID 83824146
1-[2-(2-methoxyphenyl)ethyl]-2-methylpiperazine
CID 82083206
1-[2-(2-ethoxyphenyl)ethyl]piperidine
CID 21117435
(3R)-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine
CID 95443854

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,5-diazocane?
The IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,5-diazocane (CID 106261953) is 1-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,5-diazocane.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,5-diazocane?
The canonical SMILES for 1-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,5-diazocane is COc1ccccc1CCN1CCCNC(C)CC1.
What is the InChIKey of 1-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,5-diazocane?
The InChIKey is BSDVHCBNFXGXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14-8-12-18(11-5-10-17-14)13-9-15-6-3-4-7-16(15)19-2/h3-4,6-7,14,17H,5,8-13H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,5-diazocane?
1-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,5-diazocane has a molecular weight of 262.40 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,5-diazocane is sourced from PubChem (CID 106261953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).