2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine

C17H18BrNOS — CID 105151013

IUPAC2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine
SMILESCOc1ccc(Br)c(CC(N)C2CSc3ccccc32)c1
InChIInChI=1S/C17H18BrNOS/c1-20-12-6-7-15(18)11(8-12)9-16(19)14-10-21-17-5-3-2-4-13(14)17/h2-8,14,16H,9-10,19H2,1H3
InChIKeyHVEQJBDXZSDFNS-UHFFFAOYSA-N
MW364.31 g/mol
LogP4.22
Rot. Bonds4

About 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine

2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine (PubChem CID 105151013) has the molecular formula C17H18BrNOS and a molecular weight of 364.31 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine
PubChem CID105151013
Molecular FormulaC17H18BrNOS
Molecular Weight364.31 g/mol
Exact Mass363.03
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine
SMILESCOc1ccc(Br)c(CC(N)C2CSc3ccccc32)c1
InChIInChI=1S/C17H18BrNOS/c1-20-12-6-7-15(18)11(8-12)9-16(19)14-10-21-17-5-3-2-4-13(14)17/h2-8,14,16H,9-10,19H2,1H3
InChIKeyHVEQJBDXZSDFNS-UHFFFAOYSA-N
XLogP4.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 65410340
1-(6-bicyclo[3.1.0]hexanyl)-2-(2-bromo-5-methoxyphenyl)ethanamine
CID 115862194
2-(2-bromo-5-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 115862299
1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-fluorophenyl)ethanamine
CID 105090261
2-(2-bromo-5-methoxyphenyl)-1-(thian-2-yl)ethanamine
CID 80626770
2-bromo-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-5-methoxyaniline
CID 79221632
1-(2,3-dihydro-1-benzothiophen-3-yl)-4-methylpentan-1-amine
CID 105126981
[2,3-dihydro-1-benzothiophen-3-yl-(4-methoxyphenyl)methyl]hydrazine
CID 105286232
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine
CID 105160973
1-(2-bromo-5-methoxyphenyl)-3-cyclopropylbutan-2-amine
CID 115862327
2-[(2-bromo-5-methoxyphenyl)methyl]-3-(2-bromophenyl)propan-1-amine
CID 65326574
1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(3-methoxyphenyl)propan-2-amine
CID 79218161

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine (CID 105151013) is 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine is COc1ccc(Br)c(CC(N)C2CSc3ccccc32)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine?
The InChIKey is HVEQJBDXZSDFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNOS/c1-20-12-6-7-15(18)11(8-12)9-16(19)14-10-21-17-5-3-2-4-13(14)17/h2-8,14,16H,9-10,19H2,1H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine?
2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine has a molecular weight of 364.31 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine is sourced from PubChem (CID 105151013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).