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

C17H16ClNOS — CID 115824040

IUPAC2-(1-benzothiophen-3-yl)-1-(4-chloro-2-methoxyphenyl)ethanamine
SMILESCOc1cc(Cl)ccc1C(N)Cc1csc2ccccc12
InChIInChI=1S/C17H16ClNOS/c1-20-16-9-12(18)6-7-14(16)15(19)8-11-10-21-17-5-3-2-4-13(11)17/h2-7,9-10,15H,8,19H2,1H3
InChIKeyKWVBUZWVBNFZJO-UHFFFAOYSA-N
MW317.84 g/mol
LogP4.81
Rot. Bonds4

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

2-(1-benzothiophen-3-yl)-1-(4-chloro-2-methoxyphenyl)ethanamine (PubChem CID 115824040) has the molecular formula C17H16ClNOS and a molecular weight of 317.84 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-(4-chloro-2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(4-chloro-2-methoxyphenyl)ethanamine
PubChem CID115824040
Molecular FormulaC17H16ClNOS
Molecular Weight317.84 g/mol
Exact Mass317.06
IUPAC Name2-(1-benzothiophen-3-yl)-1-(4-chloro-2-methoxyphenyl)ethanamine
SMILESCOc1cc(Cl)ccc1C(N)Cc1csc2ccccc12
InChIInChI=1S/C17H16ClNOS/c1-20-16-9-12(18)6-7-14(16)15(19)8-11-10-21-17-5-3-2-4-13(11)17/h2-7,9-10,15H,8,19H2,1H3
InChIKeyKWVBUZWVBNFZJO-UHFFFAOYSA-N
XLogP4.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzothiophen-3-yl)-1-(2,5-dichlorophenyl)ethanamine
CID 115823854
1-(4-chloro-2-methoxyphenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107309207
2-(1-benzothiophen-3-yl)-1-(4-methoxyphenyl)ethanamine
CID 63738834
1-(4-chloro-2-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanamine
CID 105024725
2-(1-benzothiophen-3-yl)-1-(2-methylfuran-3-yl)ethanamine
CID 104789815
1-(4-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanamine
CID 112655454
2-(1-benzothiophen-3-yl)-1-phenylethanamine
CID 62720010
1-(4-chloro-2-methoxyphenyl)-2-methoxyethanamine
CID 112693324
2-(1-benzothiophen-3-yl)-1-(3,4,5-trifluorophenyl)ethanamine
CID 63736733
1-(4-bromo-2-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 115840317
1-(2-amino-3-methoxyphenyl)-2-(1-benzothiophen-3-yl)ethanol
CID 107469527
1-(1-benzothiophen-3-yl)-3-(2,6-dichlorophenyl)propan-2-amine
CID 63737420

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(4-chloro-2-methoxyphenyl)ethanamine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(4-chloro-2-methoxyphenyl)ethanamine (CID 115824040) is 2-(1-benzothiophen-3-yl)-1-(4-chloro-2-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(4-chloro-2-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(4-chloro-2-methoxyphenyl)ethanamine is COc1cc(Cl)ccc1C(N)Cc1csc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(4-chloro-2-methoxyphenyl)ethanamine?
The InChIKey is KWVBUZWVBNFZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNOS/c1-20-16-9-12(18)6-7-14(16)15(19)8-11-10-21-17-5-3-2-4-13(11)17/h2-7,9-10,15H,8,19H2,1H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-(4-chloro-2-methoxyphenyl)ethanamine?
2-(1-benzothiophen-3-yl)-1-(4-chloro-2-methoxyphenyl)ethanamine has a molecular weight of 317.84 g/mol, XLogP of 4.81, 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-chloro-2-methoxyphenyl)ethanamine is sourced from PubChem (CID 115824040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).