1-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-2-methylpropan-2-amine

C14H23NO2S — CID 66230677

IUPAC1-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-2-methylpropan-2-amine
SMILESCOc1cc(C)c(CSCC(C)(C)N)cc1OC
InChIInChI=1S/C14H23NO2S/c1-10-6-12(16-4)13(17-5)7-11(10)8-18-9-14(2,3)15/h6-7H,8-9,15H2,1-5H3
InChIKeyGQMVWBZOPPAAOD-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.98
Rot. Bonds6

About 1-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-2-methylpropan-2-amine

1-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-2-methylpropan-2-amine (PubChem CID 66230677) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-2-methylpropan-2-amine
PubChem CID66230677
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name1-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-2-methylpropan-2-amine
SMILESCOc1cc(C)c(CSCC(C)(C)N)cc1OC
InChIInChI=1S/C14H23NO2S/c1-10-6-12(16-4)13(17-5)7-11(10)8-18-9-14(2,3)15/h6-7H,8-9,15H2,1-5H3
InChIKeyGQMVWBZOPPAAOD-UHFFFAOYSA-N
XLogP2.98
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,5-dimethylphenyl)methylsulfanyl]-2-methylpropan-2-amine
CID 66223800
1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 82126568
2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine
CID 78909887
1-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117347568
1-[(2,4-dichlorophenyl)methylsulfanyl]-2-methylpropan-2-amine
CID 66229738
1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropan-1-amine
CID 105423331
2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
CID 82287187
4-chloro-3-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]aniline
CID 79127474
N-cyclopentyl-2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetamide
CID 9408968
1-[(4-chloro-2-fluorophenyl)methylsulfanyl]-2-methylpropan-2-amine
CID 114849741
(4,5-dimethoxy-2-methylphenyl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate
CID 8776679
2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine
CID 8875395

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-2-methylpropan-2-amine?
The IUPAC name of 1-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-2-methylpropan-2-amine (CID 66230677) is 1-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-2-methylpropan-2-amine is COc1cc(C)c(CSCC(C)(C)N)cc1OC.
What is the InChIKey of 1-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-2-methylpropan-2-amine?
The InChIKey is GQMVWBZOPPAAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-10-6-12(16-4)13(17-5)7-11(10)8-18-9-14(2,3)15/h6-7H,8-9,15H2,1-5H3.
What are the key properties of 1-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-2-methylpropan-2-amine?
1-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-2-methylpropan-2-amine has a molecular weight of 269.41 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66230677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).