1-(4-methylphenyl)-2-propan-2-ylsulfinylethanamine

C12H19NOS — CID 64654570

IUPAC1-(4-methylphenyl)-2-propan-2-ylsulfinylethanamine
SMILESCc1ccc(C(N)CS(=O)C(C)C)cc1
InChIInChI=1S/C12H19NOS/c1-9(2)15(14)8-12(13)11-6-4-10(3)5-7-11/h4-7,9,12H,8,13H2,1-3H3
InChIKeyWEQWRHARSUSIMI-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.15
Rot. Bonds4

About 1-(4-methylphenyl)-2-propan-2-ylsulfinylethanamine

1-(4-methylphenyl)-2-propan-2-ylsulfinylethanamine (PubChem CID 64654570) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-propan-2-ylsulfinylethanamine.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-propan-2-ylsulfinylethanamine
PubChem CID64654570
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name1-(4-methylphenyl)-2-propan-2-ylsulfinylethanamine
SMILESCc1ccc(C(N)CS(=O)C(C)C)cc1
InChIInChI=1S/C12H19NOS/c1-9(2)15(14)8-12(13)11-6-4-10(3)5-7-11/h4-7,9,12H,8,13H2,1-3H3
InChIKeyWEQWRHARSUSIMI-UHFFFAOYSA-N
XLogP2.15
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-ylsulfinyl-1-(4-propoxyphenyl)ethanamine
CID 64654172
N-[1-(4-methylphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine
CID 64656607
(1S)-1-(4-methylphenyl)propan-1-amine
CID 7028357
CID 158402729
CID 158402729
1-(4-ethoxyphenyl)-2-(4-methylphenyl)sulfinylethanamine
CID 64659260
ethane;1-(4-methylphenyl)propan-1-amine
CID 142982263
5-amino-3-methyl-5-(4-methylphenyl)pentanamide
CID 62934157
2-ethylsulfonyl-1-(4-methylphenyl)ethanamine
CID 64646967
(3R)-3-amino-3-(4-methylphenyl)propane-1,1-diol
CID 163794645
(1S)-3,3-difluoro-1-(4-methylphenyl)propan-1-amine
CID 131389625
1-(4-methylphenyl)-3-methylsulfonylpropan-1-amine
CID 62608341
3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;hydrochloride
CID 86263009

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-propan-2-ylsulfinylethanamine?
The IUPAC name of 1-(4-methylphenyl)-2-propan-2-ylsulfinylethanamine (CID 64654570) is 1-(4-methylphenyl)-2-propan-2-ylsulfinylethanamine.
What is the SMILES notation for 1-(4-methylphenyl)-2-propan-2-ylsulfinylethanamine?
The canonical SMILES for 1-(4-methylphenyl)-2-propan-2-ylsulfinylethanamine is Cc1ccc(C(N)CS(=O)C(C)C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-propan-2-ylsulfinylethanamine?
The InChIKey is WEQWRHARSUSIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-9(2)15(14)8-12(13)11-6-4-10(3)5-7-11/h4-7,9,12H,8,13H2,1-3H3.
What are the key properties of 1-(4-methylphenyl)-2-propan-2-ylsulfinylethanamine?
1-(4-methylphenyl)-2-propan-2-ylsulfinylethanamine has a molecular weight of 225.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-propan-2-ylsulfinylethanamine is sourced from PubChem (CID 64654570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).