3-(4-methyl-3-methylsulfanylphenyl)propan-1-amine

C11H17NS — CID 117285805

IUPAC3-(4-methyl-3-methylsulfanylphenyl)propan-1-amine
SMILESCSc1cc(CCCN)ccc1C
InChIInChI=1S/C11H17NS/c1-9-5-6-10(4-3-7-12)8-11(9)13-2/h5-6,8H,3-4,7,12H2,1-2H3
InChIKeyNDXXELXDORALJD-UHFFFAOYSA-N
MW195.33 g/mol
LogP2.61
Rot. Bonds4

About 3-(4-methyl-3-methylsulfanylphenyl)propan-1-amine

3-(4-methyl-3-methylsulfanylphenyl)propan-1-amine (PubChem CID 117285805) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 3-(4-methyl-3-methylsulfanylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-methyl-3-methylsulfanylphenyl)propan-1-amine
PubChem CID117285805
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name3-(4-methyl-3-methylsulfanylphenyl)propan-1-amine
SMILESCSc1cc(CCCN)ccc1C
InChIInChI=1S/C11H17NS/c1-9-5-6-10(4-3-7-12)8-11(9)13-2/h5-6,8H,3-4,7,12H2,1-2H3
InChIKeyNDXXELXDORALJD-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluoro-3-methylsulfanylphenyl)propan-1-amine
CID 117288827
4-(4-methyl-3-methylsulfanylphenyl)butanoic acid
CID 117322469
3-(3-bromo-4-methylphenyl)propan-1-amine
CID 82054491
4-(3,4-dimethylphenyl)butan-1-amine
CID 19797655
5-(4-aminobutyl)-2-methylsulfanylphenol
CID 117302194
ethane;(4-methyl-3-methylsulfanylphenyl)methanol
CID 143859740
3-(4-methyl-3-methylsulfonylphenyl)propan-1-amine
CID 117327499
4-[3-methyl-5-methylsulfanyl-4-(trifluoromethyl)phenyl]butan-1-amine
CID 90212889
2-(3-fluoro-4-methylsulfanylphenyl)ethanamine
CID 63818354
3-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine
CID 95439952
3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride
CID 22743257
4-(4-methylsulfanylphenyl)butan-1-amine
CID 10559771

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-3-methylsulfanylphenyl)propan-1-amine?
The IUPAC name of 3-(4-methyl-3-methylsulfanylphenyl)propan-1-amine (CID 117285805) is 3-(4-methyl-3-methylsulfanylphenyl)propan-1-amine.
What is the SMILES notation for 3-(4-methyl-3-methylsulfanylphenyl)propan-1-amine?
The canonical SMILES for 3-(4-methyl-3-methylsulfanylphenyl)propan-1-amine is CSc1cc(CCCN)ccc1C.
What is the InChIKey of 3-(4-methyl-3-methylsulfanylphenyl)propan-1-amine?
The InChIKey is NDXXELXDORALJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-9-5-6-10(4-3-7-12)8-11(9)13-2/h5-6,8H,3-4,7,12H2,1-2H3.
What are the key properties of 3-(4-methyl-3-methylsulfanylphenyl)propan-1-amine?
3-(4-methyl-3-methylsulfanylphenyl)propan-1-amine has a molecular weight of 195.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-3-methylsulfanylphenyl)propan-1-amine is sourced from PubChem (CID 117285805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).