1-(2-chloro-5-fluorophenyl)-2-ethylsulfanylethanamine

C10H13ClFNS — CID 105395000

IUPAC1-(2-chloro-5-fluorophenyl)-2-ethylsulfanylethanamine
SMILESCCSCC(N)c1cc(F)ccc1Cl
InChIInChI=1S/C10H13ClFNS/c1-2-14-6-10(13)8-5-7(12)3-4-9(8)11/h3-5,10H,2,6,13H2,1H3
InChIKeyFOMMAZYXXFWOCC-UHFFFAOYSA-N
MW233.74 g/mol
LogP3.23
Rot. Bonds4

About 1-(2-chloro-5-fluorophenyl)-2-ethylsulfanylethanamine

1-(2-chloro-5-fluorophenyl)-2-ethylsulfanylethanamine (PubChem CID 105395000) has the molecular formula C10H13ClFNS and a molecular weight of 233.74 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-2-ethylsulfanylethanamine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-2-ethylsulfanylethanamine
PubChem CID105395000
Molecular FormulaC10H13ClFNS
Molecular Weight233.74 g/mol
Exact Mass233.04
IUPAC Name1-(2-chloro-5-fluorophenyl)-2-ethylsulfanylethanamine
SMILESCCSCC(N)c1cc(F)ccc1Cl
InChIInChI=1S/C10H13ClFNS/c1-2-14-6-10(13)8-5-7(12)3-4-9(8)11/h3-5,10H,2,6,13H2,1H3
InChIKeyFOMMAZYXXFWOCC-UHFFFAOYSA-N
XLogP3.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-5-fluorophenyl)-2-ethylsulfanylethanamine with MolForge

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

Launch Full Analysis

Related Compounds

(1R)-1-(2-chloro-5-fluorophenyl)propane-1,3-diamine
CID 130854068
(1R)-1-(2-chloro-5-fluorophenyl)-4-methylpentan-1-amine
CID 171204639
(1R)-1-(2-chloro-5-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171204622
1-(2-chloro-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 105395209
1-(2-chloro-5-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 105395116
1-(2-chloro-5-fluorophenyl)-2-ethylbutan-1-amine
CID 105397485
[1-(2-chloro-5-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine
CID 102623322
2-[(2-chlorophenyl)methylsulfanyl]-1-(2,5-difluorophenyl)ethanamine
CID 107525556
1-(2-chloro-5-fluorophenyl)-3,5,5-trimethylhexan-1-amine
CID 105397495
(1S)-1-(2-chloro-5-fluorophenyl)pentane-1,5-diamine
CID 171224187
(3S)-3-amino-3-(2-chloro-5-fluorophenyl)propan-1-ol;hydrochloride
CID 171224218
(1R)-1-(2-chloro-5-fluorophenyl)pentane-1,5-diamine
CID 171204613

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-ethylsulfanylethanamine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-ethylsulfanylethanamine (CID 105395000) is 1-(2-chloro-5-fluorophenyl)-2-ethylsulfanylethanamine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-2-ethylsulfanylethanamine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-2-ethylsulfanylethanamine is CCSCC(N)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-2-ethylsulfanylethanamine?
The InChIKey is FOMMAZYXXFWOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNS/c1-2-14-6-10(13)8-5-7(12)3-4-9(8)11/h3-5,10H,2,6,13H2,1H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-2-ethylsulfanylethanamine?
1-(2-chloro-5-fluorophenyl)-2-ethylsulfanylethanamine has a molecular weight of 233.74 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-2-ethylsulfanylethanamine is sourced from PubChem (CID 105395000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).