N-ethyl-1-(4-ethylsulfanylphenyl)-2-(2-methylphenyl)ethanamine

C19H25NS — CID 106849131

IUPACN-ethyl-1-(4-ethylsulfanylphenyl)-2-(2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccccc1C)c1ccc(SCC)cc1
InChIInChI=1S/C19H25NS/c1-4-20-19(14-17-9-7-6-8-15(17)3)16-10-12-18(13-11-16)21-5-2/h6-13,19-20H,4-5,14H2,1-3H3
InChIKeyOIBKHWUDVYNYMP-UHFFFAOYSA-N
MW299.48 g/mol
LogP5.00
Rot. Bonds7

About N-ethyl-1-(4-ethylsulfanylphenyl)-2-(2-methylphenyl)ethanamine

N-ethyl-1-(4-ethylsulfanylphenyl)-2-(2-methylphenyl)ethanamine (PubChem CID 106849131) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is N-ethyl-1-(4-ethylsulfanylphenyl)-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-ethylsulfanylphenyl)-2-(2-methylphenyl)ethanamine
PubChem CID106849131
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC NameN-ethyl-1-(4-ethylsulfanylphenyl)-2-(2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccccc1C)c1ccc(SCC)cc1
InChIInChI=1S/C19H25NS/c1-4-20-19(14-17-9-7-6-8-15(17)3)16-10-12-18(13-11-16)21-5-2/h6-13,19-20H,4-5,14H2,1-3H3
InChIKeyOIBKHWUDVYNYMP-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.48
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-fluoro-4-methylphenyl)-2-(2-methylphenyl)ethanamine
CID 60819420
N-ethyl-1-(4-methoxy-3-methylphenyl)-2-(2-methylphenyl)ethanamine
CID 43493617
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 63020070
1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 63526719
N-ethyl-2-(2-methylphenyl)-1-thiophen-2-ylethanamine
CID 43490566
N-ethyl-1-(2-iodophenyl)-2-(2-methylphenyl)ethanamine
CID 63528971
N-ethyl-3-(2-methylphenyl)-1-(4-methylphenyl)propan-1-amine
CID 105092556
N-ethyl-1-(2-methylphenyl)propan-2-amine
CID 14025646
1-(2,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 43489975
N-ethyl-1-(3-methylfuran-2-yl)-2-(2-methylphenyl)ethanamine
CID 61063846
N-ethyl-2-(2-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 65153346
1-(cyclohexen-1-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 62079589

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-ethylsulfanylphenyl)-2-(2-methylphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(4-ethylsulfanylphenyl)-2-(2-methylphenyl)ethanamine (CID 106849131) is N-ethyl-1-(4-ethylsulfanylphenyl)-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(4-ethylsulfanylphenyl)-2-(2-methylphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(4-ethylsulfanylphenyl)-2-(2-methylphenyl)ethanamine is CCNC(Cc1ccccc1C)c1ccc(SCC)cc1.
What is the InChIKey of N-ethyl-1-(4-ethylsulfanylphenyl)-2-(2-methylphenyl)ethanamine?
The InChIKey is OIBKHWUDVYNYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-4-20-19(14-17-9-7-6-8-15(17)3)16-10-12-18(13-11-16)21-5-2/h6-13,19-20H,4-5,14H2,1-3H3.
What are the key properties of N-ethyl-1-(4-ethylsulfanylphenyl)-2-(2-methylphenyl)ethanamine?
N-ethyl-1-(4-ethylsulfanylphenyl)-2-(2-methylphenyl)ethanamine has a molecular weight of 299.48 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-ethylsulfanylphenyl)-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 106849131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).