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

C17H16FNS — CID 60704446

IUPACN-(1-benzothiophen-3-ylmethyl)-2-(2-fluorophenyl)ethanamine
SMILESFc1ccccc1CCNCc1csc2ccccc12
InChIInChI=1S/C17H16FNS/c18-16-7-3-1-5-13(16)9-10-19-11-14-12-20-17-8-4-2-6-15(14)17/h1-8,12,19H,9-11H2
InChIKeyFIBHXSCLQLBEIC-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.37
Rot. Bonds5

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

N-(1-benzothiophen-3-ylmethyl)-2-(2-fluorophenyl)ethanamine (PubChem CID 60704446) has the molecular formula C17H16FNS and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)-2-(2-fluorophenyl)ethanamine
PubChem CID60704446
Molecular FormulaC17H16FNS
Molecular Weight285.39 g/mol
Exact Mass285.10
IUPAC NameN-(1-benzothiophen-3-ylmethyl)-2-(2-fluorophenyl)ethanamine
SMILESFc1ccccc1CCNCc1csc2ccccc12
InChIInChI=1S/C17H16FNS/c18-16-7-3-1-5-13(16)9-10-19-11-14-12-20-17-8-4-2-6-15(14)17/h1-8,12,19H,9-11H2
InChIKeyFIBHXSCLQLBEIC-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.37
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-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride
CID 17294165
N-(1-benzothiophen-3-ylmethyl)propan-1-amine
CID 46785290
2-(1-benzothiophen-3-ylmethylamino)ethanol
CID 60705162
N-(1-benzothiophen-3-ylmethyl)-3-butoxypropan-1-amine
CID 115575834
3-N-[2-(1-benzothiophen-3-yl)ethyl]propane-1,2,3-triamine
CID 115120046
N-(1-benzothiophen-3-ylmethyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 55108547
2-(1-benzothiophen-3-ylmethylamino)acetonitrile
CID 115131048
N-[2-(1-benzothiophen-3-yl)ethyl]-2,3,4,5-tetrafluorobenzamide
CID 112837021
N-(1-benzothiophen-3-ylmethyl)-1-thiophen-2-ylmethanamine
CID 60704292
2-(1-benzothiophen-3-ylmethylamino)acetic acid
CID 62699978
N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 114841353
(2S)-1-(1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 94331216

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)-2-(2-fluorophenyl)ethanamine?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)-2-(2-fluorophenyl)ethanamine (CID 60704446) is N-(1-benzothiophen-3-ylmethyl)-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)-2-(2-fluorophenyl)ethanamine is Fc1ccccc1CCNCc1csc2ccccc12.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)-2-(2-fluorophenyl)ethanamine?
The InChIKey is FIBHXSCLQLBEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNS/c18-16-7-3-1-5-13(16)9-10-19-11-14-12-20-17-8-4-2-6-15(14)17/h1-8,12,19H,9-11H2.
What are the key properties of N-(1-benzothiophen-3-ylmethyl)-2-(2-fluorophenyl)ethanamine?
N-(1-benzothiophen-3-ylmethyl)-2-(2-fluorophenyl)ethanamine has a molecular weight of 285.39 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 60704446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).