1-(4-methylphenyl)-3-methylsulfanylpropan-1-amine

C11H17NS — CID 105092577

IUPAC1-(4-methylphenyl)-3-methylsulfanylpropan-1-amine
SMILESCSCCC(N)c1ccc(C)cc1
InChIInChI=1S/C11H17NS/c1-9-3-5-10(6-4-9)11(12)7-8-13-2/h3-6,11H,7-8,12H2,1-2H3
InChIKeyRABIUXFRHUNQSF-UHFFFAOYSA-N
MW195.33 g/mol
LogP2.75
Rot. Bonds4

About 1-(4-methylphenyl)-3-methylsulfanylpropan-1-amine

1-(4-methylphenyl)-3-methylsulfanylpropan-1-amine (PubChem CID 105092577) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-methylsulfanylpropan-1-amine
PubChem CID105092577
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name1-(4-methylphenyl)-3-methylsulfanylpropan-1-amine
SMILESCSCCC(N)c1ccc(C)cc1
InChIInChI=1S/C11H17NS/c1-9-3-5-10(6-4-9)11(12)7-8-13-2/h3-6,11H,7-8,12H2,1-2H3
InChIKeyRABIUXFRHUNQSF-UHFFFAOYSA-N
XLogP2.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methylsulfanyl-1-(4-methylsulfanylphenyl)propan-1-amine
CID 116831551
1-(4-ethylsulfanylphenyl)-3-methylsulfanylpropan-1-amine
CID 116831553
3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 105142670
1-[4-(2-methylpropyl)phenyl]-3-methylsulfanylpropan-1-amine
CID 116831500
N'-methyl-1-(4-methylphenyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 106313125
(1S)-1-(4-methylphenyl)propan-1-amine
CID 7028357
(3R)-3-amino-3-(4-methylphenyl)propane-1,1-diol
CID 163794645
3-amino-3-[4-(4-methylphenyl)phenyl]propan-1-ol;hydrochloride
CID 170875108
3-ethoxy-1-(4-methylphenyl)propan-1-amine
CID 115601658
ethane;1-(4-methylphenyl)propan-1-amine
CID 142982263
N',N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62619570
1-(4-methylphenyl)-3-methylsulfonylpropan-1-amine
CID 62608341

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-methylsulfanylpropan-1-amine?
The IUPAC name of 1-(4-methylphenyl)-3-methylsulfanylpropan-1-amine (CID 105092577) is 1-(4-methylphenyl)-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 1-(4-methylphenyl)-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 1-(4-methylphenyl)-3-methylsulfanylpropan-1-amine is CSCCC(N)c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-methylsulfanylpropan-1-amine?
The InChIKey is RABIUXFRHUNQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-9-3-5-10(6-4-9)11(12)7-8-13-2/h3-6,11H,7-8,12H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-3-methylsulfanylpropan-1-amine?
1-(4-methylphenyl)-3-methylsulfanylpropan-1-amine has a molecular weight of 195.33 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 105092577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).