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

C16H15ClFNS — CID 102622501

IUPAC2-(2-chloro-5-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine
SMILESNC(Cc1cc(F)ccc1Cl)C1CSc2ccccc21
InChIInChI=1S/C16H15ClFNS/c17-14-6-5-11(18)7-10(14)8-15(19)13-9-20-16-4-2-1-3-12(13)16/h1-7,13,15H,8-9,19H2
InChIKeyNTTUHMGFDZZKRY-UHFFFAOYSA-N
MW307.82 g/mol
LogP4.24
Rot. Bonds3

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

2-(2-chloro-5-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine (PubChem CID 102622501) 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-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine
PubChem CID102622501
Molecular FormulaC16H15ClFNS
Molecular Weight307.82 g/mol
Exact Mass307.06
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine
SMILESNC(Cc1cc(F)ccc1Cl)C1CSc2ccccc21
InChIInChI=1S/C16H15ClFNS/c17-14-6-5-11(18)7-10(14)8-15(19)13-9-20-16-4-2-1-3-12(13)16/h1-7,13,15H,8-9,19H2
InChIKeyNTTUHMGFDZZKRY-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-chloro-5-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-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-3-yl)ethanamine?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine (CID 102622501) is 2-(2-chloro-5-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine is NC(Cc1cc(F)ccc1Cl)C1CSc2ccccc21.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine?
The InChIKey is NTTUHMGFDZZKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNS/c17-14-6-5-11(18)7-10(14)8-15(19)13-9-20-16-4-2-1-3-12(13)16/h1-7,13,15H,8-9,19H2.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine?
2-(2-chloro-5-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine has a molecular weight of 307.82 g/mol, XLogP of 4.24, 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-3-yl)ethanamine is sourced from PubChem (CID 102622501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).