1-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine

C15H25NOS — CID 107511520

IUPAC1-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine
SMILESCCNC(COC)CSCc1cc(C)cc(C)c1
InChIInChI=1S/C15H25NOS/c1-5-16-15(9-17-4)11-18-10-14-7-12(2)6-13(3)8-14/h6-8,15-16H,5,9-11H2,1-4H3
InChIKeyYCADOZHLBJURIA-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.16
Rot. Bonds8

About 1-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine

1-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine (PubChem CID 107511520) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine
PubChem CID107511520
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name1-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine
SMILESCCNC(COC)CSCc1cc(C)cc(C)c1
InChIInChI=1S/C15H25NOS/c1-5-16-15(9-17-4)11-18-10-14-7-12(2)6-13(3)8-14/h6-8,15-16H,5,9-11H2,1-4H3
InChIKeyYCADOZHLBJURIA-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine with MolForge

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Related Compounds

2-[(3,5-dimethylphenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide
CID 3120116
2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-4-methylsulfanylbutan-1-amine
CID 116102339
4-ethylsulfanyl-2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)butan-1-amine
CID 116102340
5-ethylsulfanyl-2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 116102341
2-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-4-methylsulfanylbutan-1-amine
CID 116102358
4-ethylsulfanyl-2-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)butan-1-amine
CID 116102359
5-ethylsulfanyl-2-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 116102360
2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-4-methylsulfanylbutan-1-amine
CID 116102377
4-ethylsulfanyl-2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)butan-1-amine
CID 116102378
5-ethylsulfanyl-2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 116102379
4-ethylsulfanyl-2-(4-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 116102618
4-ethylsulfanyl-2-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 116102727

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine?
The IUPAC name of 1-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine (CID 107511520) is 1-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine?
The canonical SMILES for 1-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine is CCNC(COC)CSCc1cc(C)cc(C)c1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine?
The InChIKey is YCADOZHLBJURIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-5-16-15(9-17-4)11-18-10-14-7-12(2)6-13(3)8-14/h6-8,15-16H,5,9-11H2,1-4H3.
What are the key properties of 1-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine?
1-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine has a molecular weight of 267.44 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine is sourced from PubChem (CID 107511520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).