2-[4-(6-phenylmethoxy-1-benzothiophen-2-yl)phenoxy]ethanamine

C23H21NO2S — CID 57244323

IUPAC2-[4-(6-phenylmethoxy-1-benzothiophen-2-yl)phenoxy]ethanamine
SMILESNCCOc1ccc(-c2cc3ccc(OCc4ccccc4)cc3s2)cc1
InChIInChI=1S/C23H21NO2S/c24-12-13-25-20-9-6-18(7-10-20)22-14-19-8-11-21(15-23(19)27-22)26-16-17-4-2-1-3-5-17/h1-11,14-15H,12-13,16,24H2
InChIKeyKZYBMERKGGQGCZ-UHFFFAOYSA-N
MW375.49 g/mol
LogP5.48
Rot. Bonds7

About 2-[4-(6-phenylmethoxy-1-benzothiophen-2-yl)phenoxy]ethanamine

2-[4-(6-phenylmethoxy-1-benzothiophen-2-yl)phenoxy]ethanamine (PubChem CID 57244323) has the molecular formula C23H21NO2S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-[4-(6-phenylmethoxy-1-benzothiophen-2-yl)phenoxy]ethanamine.

Molecular Properties

Compound Name2-[4-(6-phenylmethoxy-1-benzothiophen-2-yl)phenoxy]ethanamine
PubChem CID57244323
Molecular FormulaC23H21NO2S
Molecular Weight375.49 g/mol
Exact Mass375.13
IUPAC Name2-[4-(6-phenylmethoxy-1-benzothiophen-2-yl)phenoxy]ethanamine
SMILESNCCOc1ccc(-c2cc3ccc(OCc4ccccc4)cc3s2)cc1
InChIInChI=1S/C23H21NO2S/c24-12-13-25-20-9-6-18(7-10-20)22-14-19-8-11-21(15-23(19)27-22)26-16-17-4-2-1-3-5-17/h1-11,14-15H,12-13,16,24H2
InChIKeyKZYBMERKGGQGCZ-UHFFFAOYSA-N
XLogP5.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.49
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-6-phenylmethoxy-1-benzothiophene
CID 174512240
8-(4-phenylmethoxyphenoxy)octan-1-amine
CID 16720538
2-(6-phenylmethoxy-1-benzothiophen-2-yl)acetaldehyde
CID 118578588
N'-hydroxy-6-phenylmethoxy-1-benzothiophene-2-carboximidamide
CID 24859715
2-(6-phenylmethoxy-1,3-benzothiazol-2-yl)ethanamine
CID 39106719
5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-amine
CID 116811767
2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-benzothiophen-6-ol
CID 57052258
2-(4-decoxyphenyl)-6-phenylmethoxynaphthalene
CID 139782099
6-(6-phenylmethoxynaphthalen-2-yl)-1,3-benzothiazol-2-amine
CID 59282886
2-[4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]ethanamine
CID 170868663
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
2-chloro-6-phenylmethoxynaphthalene
CID 125116795

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-phenylmethoxy-1-benzothiophen-2-yl)phenoxy]ethanamine?
The IUPAC name of 2-[4-(6-phenylmethoxy-1-benzothiophen-2-yl)phenoxy]ethanamine (CID 57244323) is 2-[4-(6-phenylmethoxy-1-benzothiophen-2-yl)phenoxy]ethanamine.
What is the SMILES notation for 2-[4-(6-phenylmethoxy-1-benzothiophen-2-yl)phenoxy]ethanamine?
The canonical SMILES for 2-[4-(6-phenylmethoxy-1-benzothiophen-2-yl)phenoxy]ethanamine is NCCOc1ccc(-c2cc3ccc(OCc4ccccc4)cc3s2)cc1.
What is the InChIKey of 2-[4-(6-phenylmethoxy-1-benzothiophen-2-yl)phenoxy]ethanamine?
The InChIKey is KZYBMERKGGQGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2S/c24-12-13-25-20-9-6-18(7-10-20)22-14-19-8-11-21(15-23(19)27-22)26-16-17-4-2-1-3-5-17/h1-11,14-15H,12-13,16,24H2.
What are the key properties of 2-[4-(6-phenylmethoxy-1-benzothiophen-2-yl)phenoxy]ethanamine?
2-[4-(6-phenylmethoxy-1-benzothiophen-2-yl)phenoxy]ethanamine has a molecular weight of 375.49 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-phenylmethoxy-1-benzothiophen-2-yl)phenoxy]ethanamine is sourced from PubChem (CID 57244323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).