1-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine

C17H21NOS — CID 64649874

IUPAC1-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine
SMILESCOc1ccc(C)cc1C(N)CSc1ccccc1C
InChIInChI=1S/C17H21NOS/c1-12-8-9-16(19-3)14(10-12)15(18)11-20-17-7-5-4-6-13(17)2/h4-10,15H,11,18H2,1-3H3
InChIKeyOAPYDCYDYKPPHN-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.10
Rot. Bonds5

About 1-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine

1-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine (PubChem CID 64649874) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine
PubChem CID64649874
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name1-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine
SMILESCOc1ccc(C)cc1C(N)CSc1ccccc1C
InChIInChI=1S/C17H21NOS/c1-12-8-9-16(19-3)14(10-12)15(18)11-20-17-7-5-4-6-13(17)2/h4-10,15H,11,18H2,1-3H3
InChIKeyOAPYDCYDYKPPHN-UHFFFAOYSA-N
XLogP4.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64650203
2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine
CID 64648241
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 64650228
1-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine
CID 64634603
2-(4-chlorophenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64622119
2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64614931
1-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanamine
CID 64621439
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64627842
1-(2-methoxy-5-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
CID 64649606
1-(2-methoxy-5-methylphenyl)-2-(2-methoxyphenoxy)ethanamine
CID 16785142
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 82770281

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine (CID 64649874) is 1-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine is COc1ccc(C)cc1C(N)CSc1ccccc1C.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine?
The InChIKey is OAPYDCYDYKPPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-12-8-9-16(19-3)14(10-12)15(18)11-20-17-7-5-4-6-13(17)2/h4-10,15H,11,18H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine?
1-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine has a molecular weight of 287.43 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 64649874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).