2-[7-(2-aminoethoxy)dibenzothiophen-3-yl]oxyethanamine

C16H18N2O2S — CID 11500436

IUPAC2-[7-(2-aminoethoxy)dibenzothiophen-3-yl]oxyethanamine
SMILESNCCOc1ccc2c(c1)sc1cc(OCCN)ccc12
InChIInChI=1S/C16H18N2O2S/c17-5-7-19-11-1-3-13-14-4-2-12(20-8-6-18)10-16(14)21-15(13)9-11/h1-4,9-10H,5-8,17-18H2
InChIKeyQMZLUSCPQOGDAV-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.73
Rot. Bonds6

About 2-[7-(2-aminoethoxy)dibenzothiophen-3-yl]oxyethanamine

2-[7-(2-aminoethoxy)dibenzothiophen-3-yl]oxyethanamine (PubChem CID 11500436) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-[7-(2-aminoethoxy)dibenzothiophen-3-yl]oxyethanamine.

Molecular Properties

Compound Name2-[7-(2-aminoethoxy)dibenzothiophen-3-yl]oxyethanamine
PubChem CID11500436
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-[7-(2-aminoethoxy)dibenzothiophen-3-yl]oxyethanamine
SMILESNCCOc1ccc2c(c1)sc1cc(OCCN)ccc12
InChIInChI=1S/C16H18N2O2S/c17-5-7-19-11-1-3-13-14-4-2-12(20-8-6-18)10-16(14)21-15(13)9-11/h1-4,9-10H,5-8,17-18H2
InChIKeyQMZLUSCPQOGDAV-UHFFFAOYSA-N
XLogP2.73
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride
CID 46786149
3-[7-[3-(dimethylamino)propoxy]dibenzothiophen-2-yl]oxy-N,N-dimethylpropan-1-amine
CID 67164998
1-[2-[7-(2-pyrrolidin-1-ylethoxy)dibenzothiophen-2-yl]oxyethyl]pyrrolidine
CID 67163021
1-[3-[7-(3-pyrrolidin-1-ylpropoxy)dibenzothiophen-2-yl]oxypropyl]pyrrolidine
CID 67163765
2-dibenzofuran-3-yloxyethanamine
CID 18615231
2-[[2-(4-chlorophenyl)-1,3-benzothiazol-6-yl]oxy]ethanamine
CID 82190051
2-(6-chloronaphthalen-2-yl)oxyethanamine
CID 84687251
3-[4-(3-aminopropoxy)phenoxy]propan-1-amine
CID 3650737
4-(2-aminoethoxy)-2-methylaniline
CID 15870804
2-[4-[5,8,11,20-tetrakis[4-(2-aminoethoxy)phenyl]-2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaenyl]phenoxy]ethanamine
CID 176747721
3,6-bis[2-(dipropylamino)ethoxy]thioxanthen-9-one
CID 57439634
CID 174036817
CID 174036817

Frequently Asked Questions

What is the IUPAC name of 2-[7-(2-aminoethoxy)dibenzothiophen-3-yl]oxyethanamine?
The IUPAC name of 2-[7-(2-aminoethoxy)dibenzothiophen-3-yl]oxyethanamine (CID 11500436) is 2-[7-(2-aminoethoxy)dibenzothiophen-3-yl]oxyethanamine.
What is the SMILES notation for 2-[7-(2-aminoethoxy)dibenzothiophen-3-yl]oxyethanamine?
The canonical SMILES for 2-[7-(2-aminoethoxy)dibenzothiophen-3-yl]oxyethanamine is NCCOc1ccc2c(c1)sc1cc(OCCN)ccc12.
What is the InChIKey of 2-[7-(2-aminoethoxy)dibenzothiophen-3-yl]oxyethanamine?
The InChIKey is QMZLUSCPQOGDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c17-5-7-19-11-1-3-13-14-4-2-12(20-8-6-18)10-16(14)21-15(13)9-11/h1-4,9-10H,5-8,17-18H2.
What are the key properties of 2-[7-(2-aminoethoxy)dibenzothiophen-3-yl]oxyethanamine?
2-[7-(2-aminoethoxy)dibenzothiophen-3-yl]oxyethanamine has a molecular weight of 302.40 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2-aminoethoxy)dibenzothiophen-3-yl]oxyethanamine is sourced from PubChem (CID 11500436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).