N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-(2-fluorophenyl)ethanamine

C17H18FNS — CID 79224724

IUPACN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-(2-fluorophenyl)ethanamine
SMILESFc1ccccc1CCNCC1CSc2ccccc21
InChIInChI=1S/C17H18FNS/c18-16-7-3-1-5-13(16)9-10-19-11-14-12-20-17-8-4-2-6-15(14)17/h1-8,14,19H,9-12H2
InChIKeyAMIPUWJYLTYBMR-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.85
Rot. Bonds5

About N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-(2-fluorophenyl)ethanamine

N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-(2-fluorophenyl)ethanamine (PubChem CID 79224724) has the molecular formula C17H18FNS and a molecular weight of 287.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-(2-fluorophenyl)ethanamine
PubChem CID79224724
Molecular FormulaC17H18FNS
Molecular Weight287.40 g/mol
Exact Mass287.11
IUPAC NameN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-(2-fluorophenyl)ethanamine
SMILESFc1ccccc1CCNCC1CSc2ccccc21
InChIInChI=1S/C17H18FNS/c18-16-7-3-1-5-13(16)9-10-19-11-14-12-20-17-8-4-2-6-15(14)17/h1-8,14,19H,9-12H2
InChIKeyAMIPUWJYLTYBMR-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-difluorophenyl)-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)ethanamine
CID 79206157
3-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-1-ol
CID 79220922
N-[(2,4-difluorophenyl)methyl]-1-(2,3-dihydro-1-benzothiophen-3-yl)methanamine
CID 79220853
2-cyclobutyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)ethanamine
CID 113478802
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2,2-difluoroethanamine
CID 115406592
3-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)butan-1-amine
CID 79226615
4-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)butanoic acid
CID 79221635
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-5-methylhexan-1-amine
CID 113287462
2-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-1-amine
CID 79227011
1-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 79220843
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-propylaniline
CID 79220693
4-bromo-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2,6-difluoroaniline
CID 79221398

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-(2-fluorophenyl)ethanamine?
The IUPAC name of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-(2-fluorophenyl)ethanamine (CID 79224724) is N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-(2-fluorophenyl)ethanamine is Fc1ccccc1CCNCC1CSc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-(2-fluorophenyl)ethanamine?
The InChIKey is AMIPUWJYLTYBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNS/c18-16-7-3-1-5-13(16)9-10-19-11-14-12-20-17-8-4-2-6-15(14)17/h1-8,14,19H,9-12H2.
What are the key properties of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-(2-fluorophenyl)ethanamine?
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-(2-fluorophenyl)ethanamine has a molecular weight of 287.40 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 79224724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).