2-[(4-chlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)propan-1-amine

C16H17ClFNS — CID 107525525

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)propan-1-amine
SMILESCC(SCc1ccc(Cl)cc1)C(N)c1ccc(F)cc1
InChIInChI=1S/C16H17ClFNS/c1-11(16(19)13-4-8-15(18)9-5-13)20-10-12-2-6-14(17)7-3-12/h2-9,11,16H,10,19H2,1H3
InChIKeyUARPITDWGJYAFG-UHFFFAOYSA-N
MW309.84 g/mol
LogP4.80
Rot. Bonds5

About 2-[(4-chlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)propan-1-amine

2-[(4-chlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)propan-1-amine (PubChem CID 107525525) has the molecular formula C16H17ClFNS and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)propan-1-amine
PubChem CID107525525
Molecular FormulaC16H17ClFNS
Molecular Weight309.84 g/mol
Exact Mass309.08
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)propan-1-amine
SMILESCC(SCc1ccc(Cl)cc1)C(N)c1ccc(F)cc1
InChIInChI=1S/C16H17ClFNS/c1-11(16(19)13-4-8-15(18)9-5-13)20-10-12-2-6-14(17)7-3-12/h2-9,11,16H,10,19H2,1H3
InChIKeyUARPITDWGJYAFG-UHFFFAOYSA-N
XLogP4.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4-chlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)propan-1-amine 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

4-(4-chlorophenyl)-3-fluorobutan-2-amine
CID 105454010
4-[(4-chlorophenyl)methylsulfanyl]pentan-2-amine
CID 114792499
2-[(4-chlorophenyl)methylsulfanyl]-4-fluoroaniline
CID 79147531
(1S)-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 7129632
(1R)-1-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanol
CID 104971602
(2S)-1-[(4-chlorophenyl)methylsulfanyl]propan-2-amine
CID 104971612
1-(4-ethylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine
CID 64610288
(1R)-1-(4-fluorophenyl)-2-methylpropan-1-amine;hydrochloride
CID 45072381
(1R)-1-(4-fluorophenyl)-2-methylbutan-1-amine
CID 131025596
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81348104
2-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine
CID 114792466
2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine
CID 64648296

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)propan-1-amine?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)propan-1-amine (CID 107525525) is 2-[(4-chlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)propan-1-amine is CC(SCc1ccc(Cl)cc1)C(N)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)propan-1-amine?
The InChIKey is UARPITDWGJYAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNS/c1-11(16(19)13-4-8-15(18)9-5-13)20-10-12-2-6-14(17)7-3-12/h2-9,11,16H,10,19H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)propan-1-amine?
2-[(4-chlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)propan-1-amine has a molecular weight of 309.84 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 107525525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).