2-(4-methylphenyl)-2-phenylsulfanylethanamine

C15H17NS — CID 55016324

IUPAC2-(4-methylphenyl)-2-phenylsulfanylethanamine
SMILESCc1ccc(C(CN)Sc2ccccc2)cc1
InChIInChI=1S/C15H17NS/c1-12-7-9-13(10-8-12)15(11-16)17-14-5-3-2-4-6-14/h2-10,15H,11,16H2,1H3
InChIKeyUDRYTCXKOZSAIL-UHFFFAOYSA-N
MW243.38 g/mol
LogP3.79
Rot. Bonds4

About 2-(4-methylphenyl)-2-phenylsulfanylethanamine

2-(4-methylphenyl)-2-phenylsulfanylethanamine (PubChem CID 55016324) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is 2-(4-methylphenyl)-2-phenylsulfanylethanamine.

Molecular Properties

Compound Name2-(4-methylphenyl)-2-phenylsulfanylethanamine
PubChem CID55016324
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC Name2-(4-methylphenyl)-2-phenylsulfanylethanamine
SMILESCc1ccc(C(CN)Sc2ccccc2)cc1
InChIInChI=1S/C15H17NS/c1-12-7-9-13(10-8-12)15(11-16)17-14-5-3-2-4-6-14/h2-10,15H,11,16H2,1H3
InChIKeyUDRYTCXKOZSAIL-UHFFFAOYSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxyphenyl)sulfanyl-2-(4-methylphenyl)ethanamine
CID 55016420
2-(4-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 55016607
2-(3,4-difluorophenyl)sulfanyl-2-(4-methylphenyl)ethanamine
CID 55016654
2-(2,5-dimethylphenyl)sulfanyl-2-phenylethanamine
CID 55017309
2-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 55016886
2-(3-methoxyphenyl)-2-phenylsulfanylethanamine
CID 55017885
2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine;hydrochloride
CID 23620363
2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine
CID 23620364
2-(2-chlorophenyl)sulfanyl-2-phenylethanamine
CID 55017174
2-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 55014987
2-(4-chlorophenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 55014728
2-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 55016371

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-2-phenylsulfanylethanamine?
The IUPAC name of 2-(4-methylphenyl)-2-phenylsulfanylethanamine (CID 55016324) is 2-(4-methylphenyl)-2-phenylsulfanylethanamine.
What is the SMILES notation for 2-(4-methylphenyl)-2-phenylsulfanylethanamine?
The canonical SMILES for 2-(4-methylphenyl)-2-phenylsulfanylethanamine is Cc1ccc(C(CN)Sc2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-2-phenylsulfanylethanamine?
The InChIKey is UDRYTCXKOZSAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c1-12-7-9-13(10-8-12)15(11-16)17-14-5-3-2-4-6-14/h2-10,15H,11,16H2,1H3.
What are the key properties of 2-(4-methylphenyl)-2-phenylsulfanylethanamine?
2-(4-methylphenyl)-2-phenylsulfanylethanamine has a molecular weight of 243.38 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-2-phenylsulfanylethanamine is sourced from PubChem (CID 55016324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).