2-(1-benzothiophen-3-yl)-1-(4-methoxyphenyl)ethanamine

C17H17NOS — CID 63738834

IUPAC2-(1-benzothiophen-3-yl)-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2csc3ccccc23)cc1
InChIInChI=1S/C17H17NOS/c1-19-14-8-6-12(7-9-14)16(18)10-13-11-20-17-5-3-2-4-15(13)17/h2-9,11,16H,10,18H2,1H3
InChIKeyJCYBYFUPFDKDHA-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.15
Rot. Bonds4

About 2-(1-benzothiophen-3-yl)-1-(4-methoxyphenyl)ethanamine

2-(1-benzothiophen-3-yl)-1-(4-methoxyphenyl)ethanamine (PubChem CID 63738834) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(4-methoxyphenyl)ethanamine
PubChem CID63738834
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name2-(1-benzothiophen-3-yl)-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2csc3ccccc23)cc1
InChIInChI=1S/C17H17NOS/c1-19-14-8-6-12(7-9-14)16(18)10-13-11-20-17-5-3-2-4-15(13)17/h2-9,11,16H,10,18H2,1H3
InChIKeyJCYBYFUPFDKDHA-UHFFFAOYSA-N
XLogP4.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzothiophen-3-yl)-1-phenylethanamine
CID 62720010
1-(1-benzothiophen-3-yl)-3-(4-methoxyphenyl)propan-2-ol
CID 63738831
2-(1-benzothiophen-3-yl)-1-(3,4,5-trifluorophenyl)ethanamine
CID 63736733
2-(1-benzothiophen-3-ylmethylamino)-1-(4-methoxyphenyl)ethanol
CID 110889955
2-(1-benzothiophen-3-yl)-1-(4-chloro-2-methoxyphenyl)ethanamine
CID 115824040
1-(1-benzothiophen-3-yl)-3-methoxypropan-2-ol
CID 63739171
N-(1-benzothiophen-3-ylmethyl)-1-(4-methoxyphenyl)methanamine
CID 60704248
methyl 2-amino-3-(1-benzothiophen-3-yl)propanoate;hydrochloride
CID 68769670
1-(1-benzofuran-2-yl)-2-(1-benzothiophen-3-yl)ethanamine
CID 63738304
2-(1-benzothiophen-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 115823714
2-(1-benzothiophen-3-yl)-1-(2-methylfuran-3-yl)ethanamine
CID 104789815
2-(1-benzothiophen-3-yl)-1-(2-methylcyclopropyl)ethanamine
CID 65420177

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(4-methoxyphenyl)ethanamine (CID 63738834) is 2-(1-benzothiophen-3-yl)-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(4-methoxyphenyl)ethanamine is COc1ccc(C(N)Cc2csc3ccccc23)cc1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(4-methoxyphenyl)ethanamine?
The InChIKey is JCYBYFUPFDKDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-19-14-8-6-12(7-9-14)16(18)10-13-11-20-17-5-3-2-4-15(13)17/h2-9,11,16H,10,18H2,1H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-(4-methoxyphenyl)ethanamine?
2-(1-benzothiophen-3-yl)-1-(4-methoxyphenyl)ethanamine has a molecular weight of 283.40 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 63738834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).