1-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanamine

C14H23NOS — CID 106680616

IUPAC1-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanamine
SMILESCOc1cc(C)cc(C)c1C(N)CSC(C)C
InChIInChI=1S/C14H23NOS/c1-9(2)17-8-12(15)14-11(4)6-10(3)7-13(14)16-5/h6-7,9,12H,8,15H2,1-5H3
InChIKeyWWRYLAAUIBWHFL-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.45
Rot. Bonds5

About 1-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanamine

1-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanamine (PubChem CID 106680616) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanamine.

Molecular Properties

Compound Name1-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanamine
PubChem CID106680616
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name1-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanamine
SMILESCOc1cc(C)cc(C)c1C(N)CSC(C)C
InChIInChI=1S/C14H23NOS/c1-9(2)17-8-12(15)14-11(4)6-10(3)7-13(14)16-5/h6-7,9,12H,8,15H2,1-5H3
InChIKeyWWRYLAAUIBWHFL-UHFFFAOYSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 77129779
3-amino-3-(2-methoxy-4,6-dimethylphenyl)propanenitrile
CID 116851261
N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethane-1,2-diamine
CID 116934935
2-(2,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680598
N'-cyclopropyl-1-(2-methoxy-4,6-dimethylphenyl)ethane-1,2-diamine
CID 116935221
2-(2,3-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106682264
4-amino-4-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethylbutanoic acid
CID 116938518
2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-ol
CID 116945650
(1R)-1-(2,6-dimethoxy-4-methylphenyl)hexan-1-amine
CID 171215923
ethyl 2-amino-2-(2-methoxy-4,6-dimethylphenyl)acetate
CID 3904081
(1R)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethanamine
CID 96670588
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680438

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanamine?
The IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanamine (CID 106680616) is 1-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanamine.
What is the SMILES notation for 1-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanamine?
The canonical SMILES for 1-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanamine is COc1cc(C)cc(C)c1C(N)CSC(C)C.
What is the InChIKey of 1-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanamine?
The InChIKey is WWRYLAAUIBWHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-9(2)17-8-12(15)14-11(4)6-10(3)7-13(14)16-5/h6-7,9,12H,8,15H2,1-5H3.
What are the key properties of 1-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanamine?
1-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanamine has a molecular weight of 253.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanamine is sourced from PubChem (CID 106680616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).