2-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine

C15H16FNS — CID 55014987

IUPAC2-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine
SMILESCc1ccccc1SC(CN)c1ccc(F)cc1
InChIInChI=1S/C15H16FNS/c1-11-4-2-3-5-14(11)18-15(10-17)12-6-8-13(16)9-7-12/h2-9,15H,10,17H2,1H3
InChIKeyRSMTTYDSMWBZGJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.93
Rot. Bonds4

About 2-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine

2-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine (PubChem CID 55014987) has the molecular formula C15H16FNS and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine
PubChem CID55014987
Molecular FormulaC15H16FNS
Molecular Weight261.37 g/mol
Exact Mass261.10
IUPAC Name2-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine
SMILESCc1ccccc1SC(CN)c1ccc(F)cc1
InChIInChI=1S/C15H16FNS/c1-11-4-2-3-5-14(11)18-15(10-17)12-6-8-13(16)9-7-12/h2-9,15H,10,17H2,1H3
InChIKeyRSMTTYDSMWBZGJ-UHFFFAOYSA-N
XLogP3.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 55014728
2-(2-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 55019111
2-(3,4-dimethylphenyl)sulfanyl-2-(4-fluorophenyl)ethanamine
CID 55014937
2-(2,5-dimethylphenyl)sulfanyl-2-phenylethanamine
CID 55017309
2-(4-fluorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine
CID 62253274
2-(4-fluorophenyl)-2-(3-methoxyphenyl)sulfanylethanamine
CID 55015465
2-(4-methylphenyl)-2-phenylsulfanylethanamine
CID 55016324
3,3,3-trifluoro-2-(2-methylphenyl)sulfanylpropan-1-amine
CID 60891622
2-(2-chlorophenyl)sulfanyl-2-phenylethanamine
CID 55017174
[5-fluoro-2-[(2-methylphenyl)sulfanylmethyl]phenyl]methanamine
CID 55173090
4-fluoro-N-[2-(2-methylphenyl)sulfanylethyl]aniline
CID 62577601
2-(4-fluoro-2-methylphenyl)sulfanylpropan-1-amine
CID 82505973

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine?
The IUPAC name of 2-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine (CID 55014987) is 2-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine is Cc1ccccc1SC(CN)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine?
The InChIKey is RSMTTYDSMWBZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNS/c1-11-4-2-3-5-14(11)18-15(10-17)12-6-8-13(16)9-7-12/h2-9,15H,10,17H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine?
2-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine has a molecular weight of 261.37 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 55014987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).