1-[2-(3,4-dimethylphenyl)sulfanylphenyl]-N-ethylethanamine

C18H23NS — CID 43286383

IUPAC1-[2-(3,4-dimethylphenyl)sulfanylphenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccccc1Sc1ccc(C)c(C)c1
InChIInChI=1S/C18H23NS/c1-5-19-15(4)17-8-6-7-9-18(17)20-16-11-10-13(2)14(3)12-16/h6-12,15,19H,5H2,1-4H3
InChIKeyDUGXJCCSOOYWBO-UHFFFAOYSA-N
MW285.46 g/mol
LogP5.13
Rot. Bonds5

About 1-[2-(3,4-dimethylphenyl)sulfanylphenyl]-N-ethylethanamine

1-[2-(3,4-dimethylphenyl)sulfanylphenyl]-N-ethylethanamine (PubChem CID 43286383) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylphenyl)sulfanylphenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(3,4-dimethylphenyl)sulfanylphenyl]-N-ethylethanamine
PubChem CID43286383
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name1-[2-(3,4-dimethylphenyl)sulfanylphenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccccc1Sc1ccc(C)c(C)c1
InChIInChI=1S/C18H23NS/c1-5-19-15(4)17-8-6-7-9-18(17)20-16-11-10-13(2)14(3)12-16/h6-12,15,19H,5H2,1-4H3
InChIKeyDUGXJCCSOOYWBO-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.46
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-(3,4-dimethylphenyl)sulfanylphenyl]ethanamine
CID 29040516
(1R)-1-[2-(3,4-dimethylphenyl)sulfanylphenyl]propan-1-amine
CID 103959494
1-[4-(3,4-dimethylphenyl)sulfanyl-3-fluorophenyl]-N-ethylethanamine
CID 43286392
N-[1-(2-phenylsulfanylphenyl)ethyl]propan-1-amine
CID 43286135
N-[1-[2-(2-methylphenyl)sulfanylphenyl]ethyl]propan-1-amine
CID 63531998
N-ethyl-1-(2-propan-2-ylsulfanylphenyl)ethanamine
CID 60885151
N-[1-[2-(3-methoxyphenyl)sulfanylphenyl]ethyl]propan-1-amine
CID 43286252
1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]-N-ethylethanamine
CID 106923251
N-ethyl-1-[2-(5-fluoro-2-methylphenyl)phenyl]ethanamine
CID 54911658
[2-(3,4-dimethylphenyl)sulfanylphenyl]methanamine
CID 43528946
N-ethyl-1-[2-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanamine
CID 43286196
1-[5-bromo-2-(3,4-difluorophenyl)sulfanylphenyl]-N-ethylethanamine
CID 82954533

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylphenyl)sulfanylphenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-(3,4-dimethylphenyl)sulfanylphenyl]-N-ethylethanamine (CID 43286383) is 1-[2-(3,4-dimethylphenyl)sulfanylphenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(3,4-dimethylphenyl)sulfanylphenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(3,4-dimethylphenyl)sulfanylphenyl]-N-ethylethanamine is CCNC(C)c1ccccc1Sc1ccc(C)c(C)c1.
What is the InChIKey of 1-[2-(3,4-dimethylphenyl)sulfanylphenyl]-N-ethylethanamine?
The InChIKey is DUGXJCCSOOYWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-5-19-15(4)17-8-6-7-9-18(17)20-16-11-10-13(2)14(3)12-16/h6-12,15,19H,5H2,1-4H3.
What are the key properties of 1-[2-(3,4-dimethylphenyl)sulfanylphenyl]-N-ethylethanamine?
1-[2-(3,4-dimethylphenyl)sulfanylphenyl]-N-ethylethanamine has a molecular weight of 285.46 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylphenyl)sulfanylphenyl]-N-ethylethanamine is sourced from PubChem (CID 43286383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).