2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine

C14H15ClFNS — CID 102867292

IUPAC2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine
SMILESCCc1ccsc1C(N)Cc1cccc(Cl)c1F
InChIInChI=1S/C14H15ClFNS/c1-2-9-6-7-18-14(9)12(17)8-10-4-3-5-11(15)13(10)16/h3-7,12H,2,8,17H2,1H3
InChIKeyUMIHCQYZHLMUAW-UHFFFAOYSA-N
MW283.80 g/mol
LogP4.35
Rot. Bonds4

About 2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine

2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine (PubChem CID 102867292) has the molecular formula C14H15ClFNS and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine
PubChem CID102867292
Molecular FormulaC14H15ClFNS
Molecular Weight283.80 g/mol
Exact Mass283.06
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine
SMILESCCc1ccsc1C(N)Cc1cccc(Cl)c1F
InChIInChI=1S/C14H15ClFNS/c1-2-9-6-7-18-14(9)12(17)8-10-4-3-5-11(15)13(10)16/h3-7,12H,2,8,17H2,1H3
InChIKeyUMIHCQYZHLMUAW-UHFFFAOYSA-N
XLogP4.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 102866349
2-(3-chloro-2-fluorophenyl)-1-(4-ethylphenyl)ethanamine
CID 82806145
2-(3-chloro-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 102866882
2-(2,6-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 105024445
2-(3-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 102866395
2-(3-chloro-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine
CID 102867290
3-amino-2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)propan-1-ol
CID 82808604
1-(3-chloro-2-fluorophenyl)-3-ethoxypropan-2-amine
CID 82805550
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine
CID 82805455
2-cyclopropyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 104986347
2-(3-chloro-2-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 82806473
1-(2-chloro-3-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102866438

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine (CID 102867292) is 2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine is CCc1ccsc1C(N)Cc1cccc(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine?
The InChIKey is UMIHCQYZHLMUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNS/c1-2-9-6-7-18-14(9)12(17)8-10-4-3-5-11(15)13(10)16/h3-7,12H,2,8,17H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine?
2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine has a molecular weight of 283.80 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine is sourced from PubChem (CID 102867292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).