2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanamine

C15H15ClFNS — CID 66143398

IUPAC2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanamine
SMILESCc1ccc(F)c(C(N)CSc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H15ClFNS/c1-10-2-7-14(17)13(8-10)15(18)9-19-12-5-3-11(16)4-6-12/h2-8,15H,9,18H2,1H3
InChIKeyLHVQQGSTKTVIAK-UHFFFAOYSA-N
MW295.81 g/mol
LogP4.58
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanamine

2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanamine (PubChem CID 66143398) has the molecular formula C15H15ClFNS and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanamine
PubChem CID66143398
Molecular FormulaC15H15ClFNS
Molecular Weight295.81 g/mol
Exact Mass295.06
IUPAC Name2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanamine
SMILESCc1ccc(F)c(C(N)CSc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H15ClFNS/c1-10-2-7-14(17)13(8-10)15(18)9-19-12-5-3-11(16)4-6-12/h2-8,15H,9,18H2,1H3
InChIKeyLHVQQGSTKTVIAK-UHFFFAOYSA-N
XLogP4.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64622119
1-(5-fluoro-2-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine
CID 66065190
1-(5-chloro-2-fluorophenyl)-2-methylsulfanylethanamine
CID 116830315
2-(4-chlorophenyl)sulfanyl-1-(3-fluoro-4-pyridinyl)ethanamine
CID 104738386
1-(4-chlorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086016
2-cyclopentylsulfanyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 65138658
(1R)-1-(2-fluoro-5-methylphenyl)butane-1,4-diamine
CID 171204011
1-(2-fluoro-5-methylphenyl)-3,5-dimethylhexan-1-amine
CID 114201084
1-(2-fluoro-5-methylphenyl)-2-phenylsulfanylethanol
CID 65141877
3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine
CID 62790891
1-(2-chloro-5-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 105395116
3-[1-amino-2-(4-fluorophenyl)sulfanylethyl]-5-methylpyridin-2-amine
CID 66073260

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanamine (CID 66143398) is 2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanamine is Cc1ccc(F)c(C(N)CSc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanamine?
The InChIKey is LHVQQGSTKTVIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNS/c1-10-2-7-14(17)13(8-10)15(18)9-19-12-5-3-11(16)4-6-12/h2-8,15H,9,18H2,1H3.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanamine?
2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanamine has a molecular weight of 295.81 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanamine is sourced from PubChem (CID 66143398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).