2-(2-chloro-5-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine

C16H15ClFNS — CID 102622792

IUPAC2-(2-chloro-5-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine
SMILESNC(Cc1cc(F)ccc1Cl)C1Cc2ccccc2S1
InChIInChI=1S/C16H15ClFNS/c17-13-6-5-12(18)7-11(13)8-14(19)16-9-10-3-1-2-4-15(10)20-16/h1-7,14,16H,8-9,19H2
InChIKeyWAGWKQGXNRUNFM-UHFFFAOYSA-N
MW307.82 g/mol
LogP4.07
Rot. Bonds3

About 2-(2-chloro-5-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine

2-(2-chloro-5-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine (PubChem CID 102622792) has the molecular formula C16H15ClFNS and a molecular weight of 307.82 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine
PubChem CID102622792
Molecular FormulaC16H15ClFNS
Molecular Weight307.82 g/mol
Exact Mass307.06
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine
SMILESNC(Cc1cc(F)ccc1Cl)C1Cc2ccccc2S1
InChIInChI=1S/C16H15ClFNS/c17-13-6-5-12(18)7-11(13)8-14(19)16-9-10-3-1-2-4-15(10)20-16/h1-7,14,16H,8-9,19H2
InChIKeyWAGWKQGXNRUNFM-UHFFFAOYSA-N
XLogP4.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-chloro-5-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine (CID 102622792) is 2-(2-chloro-5-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine is NC(Cc1cc(F)ccc1Cl)C1Cc2ccccc2S1.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine?
The InChIKey is WAGWKQGXNRUNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNS/c17-13-6-5-12(18)7-11(13)8-14(19)16-9-10-3-1-2-4-15(10)20-16/h1-7,14,16H,8-9,19H2.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine?
2-(2-chloro-5-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine has a molecular weight of 307.82 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine is sourced from PubChem (CID 102622792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).