2-(4-ethylphenyl)-1-(2-methylsulfanylphenyl)ethanamine

C17H21NS — CID 115803857

IUPAC2-(4-ethylphenyl)-1-(2-methylsulfanylphenyl)ethanamine
SMILESCCc1ccc(CC(N)c2ccccc2SC)cc1
InChIInChI=1S/C17H21NS/c1-3-13-8-10-14(11-9-13)12-16(18)15-6-4-5-7-17(15)19-2/h4-11,16H,3,12,18H2,1-2H3
InChIKeyAEUZYWPRIYQCDQ-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.21
Rot. Bonds5

About 2-(4-ethylphenyl)-1-(2-methylsulfanylphenyl)ethanamine

2-(4-ethylphenyl)-1-(2-methylsulfanylphenyl)ethanamine (PubChem CID 115803857) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-(2-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1-(2-methylsulfanylphenyl)ethanamine
PubChem CID115803857
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC Name2-(4-ethylphenyl)-1-(2-methylsulfanylphenyl)ethanamine
SMILESCCc1ccc(CC(N)c2ccccc2SC)cc1
InChIInChI=1S/C17H21NS/c1-3-13-8-10-14(11-9-13)12-16(18)15-6-4-5-7-17(15)19-2/h4-11,16H,3,12,18H2,1-2H3
InChIKeyAEUZYWPRIYQCDQ-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylsulfanylphenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844363
(1S)-1-(2-methylsulfanylphenyl)propan-1-amine
CID 103663388
2-(3-bromo-4-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanamine
CID 115819033
1-(2,3-difluorophenyl)-2-(4-ethylphenyl)ethanamine
CID 115803367
1-(2-bromo-3-fluorophenyl)-2-(4-ethylphenyl)ethanamine
CID 115803766
2-(4-ethylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 115803114
1-(2-methylsulfanylphenyl)-2-thiophen-2-ylethanamine
CID 79217934
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylsulfanylphenyl)ethanamine
CID 104999307
2-(2-chloro-5-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanamine
CID 102622535
(1R)-1-(2-methylsulfanylphenyl)but-3-en-1-amine
CID 55295815
2-(5-bromothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanamine
CID 115841290
4-methyl-1-(2-methylsulfanylphenyl)pent-4-en-1-amine
CID 105039765

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-(2-methylsulfanylphenyl)ethanamine?
The IUPAC name of 2-(4-ethylphenyl)-1-(2-methylsulfanylphenyl)ethanamine (CID 115803857) is 2-(4-ethylphenyl)-1-(2-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-(4-ethylphenyl)-1-(2-methylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-(4-ethylphenyl)-1-(2-methylsulfanylphenyl)ethanamine is CCc1ccc(CC(N)c2ccccc2SC)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1-(2-methylsulfanylphenyl)ethanamine?
The InChIKey is AEUZYWPRIYQCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-3-13-8-10-14(11-9-13)12-16(18)15-6-4-5-7-17(15)19-2/h4-11,16H,3,12,18H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-1-(2-methylsulfanylphenyl)ethanamine?
2-(4-ethylphenyl)-1-(2-methylsulfanylphenyl)ethanamine has a molecular weight of 271.43 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1-(2-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 115803857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).