2-(4-methoxy-2-methylphenyl)sulfanyl-2-methylpropan-1-amine

C12H19NOS — CID 117032593

IUPAC2-(4-methoxy-2-methylphenyl)sulfanyl-2-methylpropan-1-amine
SMILESCOc1ccc(SC(C)(C)CN)c(C)c1
InChIInChI=1S/C12H19NOS/c1-9-7-10(14-4)5-6-11(9)15-12(2,3)8-13/h5-7H,8,13H2,1-4H3
InChIKeyOOHWEDVLGNRJAD-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.83
Rot. Bonds4

About 2-(4-methoxy-2-methylphenyl)sulfanyl-2-methylpropan-1-amine

2-(4-methoxy-2-methylphenyl)sulfanyl-2-methylpropan-1-amine (PubChem CID 117032593) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-(4-methoxy-2-methylphenyl)sulfanyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4-methoxy-2-methylphenyl)sulfanyl-2-methylpropan-1-amine
PubChem CID117032593
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2-(4-methoxy-2-methylphenyl)sulfanyl-2-methylpropan-1-amine
SMILESCOc1ccc(SC(C)(C)CN)c(C)c1
InChIInChI=1S/C12H19NOS/c1-9-7-10(14-4)5-6-11(9)15-12(2,3)8-13/h5-7H,8,13H2,1-4H3
InChIKeyOOHWEDVLGNRJAD-UHFFFAOYSA-N
XLogP2.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methoxyphenyl)sulfanyl-2-methylpropan-1-amine
CID 116853484
2-(2-methoxy-5-propan-2-ylphenyl)sulfanyl-2-methylpropan-1-amine
CID 116853494
3-(4-methoxy-2-methylphenyl)sulfanylpropanenitrile
CID 117033970
2-(5-fluoro-2-methoxyphenyl)sulfanyl-2-methylpropan-1-amine
CID 116853483
2-tert-butyl-4-methoxy-1-methylbenzene;hydrofluoride
CID 157336845
1-fluoro-4-methoxy-2-methylbenzene;methanamine
CID 142516240
(4-methoxy-2-methylphenyl)sulfonylmethanamine
CID 117036101
2-(2-bromo-5-methoxyphenyl)-2-methylpropan-1-amine
CID 18697503
4-[(4-methoxy-2-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 82304530
2-(4-methoxy-2-methylphenyl)sulfanylbutanenitrile
CID 117035597
2-[1-(4-methoxy-2-methylphenyl)ethyl]propane-1,3-diamine
CID 83936405
4-(4-methoxy-2-methylphenyl)sulfanylbenzoic acid
CID 91878618

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2-methylphenyl)sulfanyl-2-methylpropan-1-amine?
The IUPAC name of 2-(4-methoxy-2-methylphenyl)sulfanyl-2-methylpropan-1-amine (CID 117032593) is 2-(4-methoxy-2-methylphenyl)sulfanyl-2-methylpropan-1-amine.
What is the SMILES notation for 2-(4-methoxy-2-methylphenyl)sulfanyl-2-methylpropan-1-amine?
The canonical SMILES for 2-(4-methoxy-2-methylphenyl)sulfanyl-2-methylpropan-1-amine is COc1ccc(SC(C)(C)CN)c(C)c1.
What is the InChIKey of 2-(4-methoxy-2-methylphenyl)sulfanyl-2-methylpropan-1-amine?
The InChIKey is OOHWEDVLGNRJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-9-7-10(14-4)5-6-11(9)15-12(2,3)8-13/h5-7H,8,13H2,1-4H3.
What are the key properties of 2-(4-methoxy-2-methylphenyl)sulfanyl-2-methylpropan-1-amine?
2-(4-methoxy-2-methylphenyl)sulfanyl-2-methylpropan-1-amine has a molecular weight of 225.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-methylphenyl)sulfanyl-2-methylpropan-1-amine is sourced from PubChem (CID 117032593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).