2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine

C13H21NO2S — CID 64614931

IUPAC2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOCCSCC(N)c1cc(C)ccc1OC
InChIInChI=1S/C13H21NO2S/c1-10-4-5-13(16-3)11(8-10)12(14)9-17-7-6-15-2/h4-5,8,12H,6-7,9,14H2,1-3H3
InChIKeyNMIACAGWPSYBJQ-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.38
Rot. Bonds7

About 2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine

2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine (PubChem CID 64614931) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine
PubChem CID64614931
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOCCSCC(N)c1cc(C)ccc1OC
InChIInChI=1S/C13H21NO2S/c1-10-4-5-13(16-3)11(8-10)12(14)9-17-7-6-15-2/h4-5,8,12H,6-7,9,14H2,1-3H3
InChIKeyNMIACAGWPSYBJQ-UHFFFAOYSA-N
XLogP2.38
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64613261
3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol
CID 66105221
1-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine
CID 64634603
2-(2-methoxyethylsulfanyl)-1-(4-methylphenyl)ethanamine
CID 64609924
2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64650203
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
N'-(2-methoxyethyl)-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
CID 61427087
1-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 64649874
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
2-(4-chlorophenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64622119
1-(2-methoxy-5-methylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
CID 115941946
1-(2-methoxy-5-methylphenyl)-2-(3-methoxypropylsulfonyl)ethanamine
CID 64674070

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
The IUPAC name of 2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine (CID 64614931) is 2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine is COCCSCC(N)c1cc(C)ccc1OC.
What is the InChIKey of 2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
The InChIKey is NMIACAGWPSYBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-10-4-5-13(16-3)11(8-10)12(14)9-17-7-6-15-2/h4-5,8,12H,6-7,9,14H2,1-3H3.
What are the key properties of 2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine has a molecular weight of 255.38 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine is sourced from PubChem (CID 64614931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).