1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine

C17H18FNOS — CID 105121936

IUPAC1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)C2Cc3ccccc3S2)cc1F
InChIInChI=1S/C17H18FNOS/c1-20-15-7-6-11(8-13(15)18)9-14(19)17-10-12-4-2-3-5-16(12)21-17/h2-8,14,17H,9-10,19H2,1H3
InChIKeyLLAOFJCLDNOLKB-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.42
Rot. Bonds4

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

1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine (PubChem CID 105121936) has the molecular formula C17H18FNOS and a molecular weight of 303.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
PubChem CID105121936
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)C2Cc3ccccc3S2)cc1F
InChIInChI=1S/C17H18FNOS/c1-20-15-7-6-11(8-13(15)18)9-14(19)17-10-12-4-2-3-5-16(12)21-17/h2-8,14,17H,9-10,19H2,1H3
InChIKeyLLAOFJCLDNOLKB-UHFFFAOYSA-N
XLogP3.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine
CID 105111246
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 105152342
1-(2,3-dihydro-1H-inden-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65405905
2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine
CID 105137669
1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65398856
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829604
2,3-dihydro-1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanamine
CID 105143996
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 105160076
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-fluoro-4-methoxyaniline
CID 79213733
1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
CID 62601628
2-[4-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-3-fluorophenyl]ethanamine
CID 107692846
1-(1,4-dioxan-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65351095

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine (CID 105121936) is 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine is COc1ccc(CC(N)C2Cc3ccccc3S2)cc1F.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine?
The InChIKey is LLAOFJCLDNOLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNOS/c1-20-15-7-6-11(8-13(15)18)9-14(19)17-10-12-4-2-3-5-16(12)21-17/h2-8,14,17H,9-10,19H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine?
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine has a molecular weight of 303.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 105121936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).