1-[2-(2,5-dimethylphenyl)sulfanylphenyl]-N-methylpropan-1-amine

C18H23NS — CID 115995797

IUPAC1-[2-(2,5-dimethylphenyl)sulfanylphenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1Sc1cc(C)ccc1C
InChIInChI=1S/C18H23NS/c1-5-16(19-4)15-8-6-7-9-17(15)20-18-12-13(2)10-11-14(18)3/h6-12,16,19H,5H2,1-4H3
InChIKeyCPLHLSBZSQTEKE-UHFFFAOYSA-N
MW285.46 g/mol
LogP5.13
Rot. Bonds5

About 1-[2-(2,5-dimethylphenyl)sulfanylphenyl]-N-methylpropan-1-amine

1-[2-(2,5-dimethylphenyl)sulfanylphenyl]-N-methylpropan-1-amine (PubChem CID 115995797) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylphenyl)sulfanylphenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[2-(2,5-dimethylphenyl)sulfanylphenyl]-N-methylpropan-1-amine
PubChem CID115995797
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name1-[2-(2,5-dimethylphenyl)sulfanylphenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1Sc1cc(C)ccc1C
InChIInChI=1S/C18H23NS/c1-5-16(19-4)15-8-6-7-9-17(15)20-18-12-13(2)10-11-14(18)3/h6-12,16,19H,5H2,1-4H3
InChIKeyCPLHLSBZSQTEKE-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.46
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-chlorophenyl)sulfanylphenyl]-N-methylpropan-1-amine
CID 112678556
1-[2-(2,4-difluorophenyl)sulfanylphenyl]-N-methylpropan-1-amine
CID 115995811
1-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 43483756
1-[2-(2,5-dimethylphenyl)sulfanylphenyl]ethanol
CID 55238711
N-methyl-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propan-1-amine
CID 112678616
N-[[2-(2,5-dimethylphenyl)sulfanylphenyl]methyl]propan-1-amine
CID 63806875
1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]-N-methylpropan-1-amine
CID 107780626
N-methyl-1-[2-(1-methylimidazol-2-yl)sulfanylphenyl]propan-1-amine
CID 112678538
N-[1-(2-fluorophenyl)propyl]-2,5-dimethylaniline
CID 112676883
2-[1-(methylamino)propyl]phenol
CID 12862798
1-(2-bromo-4-methylphenyl)-N-methylpropan-1-amine
CID 114979523
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 64650228

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylphenyl)sulfanylphenyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[2-(2,5-dimethylphenyl)sulfanylphenyl]-N-methylpropan-1-amine (CID 115995797) is 1-[2-(2,5-dimethylphenyl)sulfanylphenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[2-(2,5-dimethylphenyl)sulfanylphenyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[2-(2,5-dimethylphenyl)sulfanylphenyl]-N-methylpropan-1-amine is CCC(NC)c1ccccc1Sc1cc(C)ccc1C.
What is the InChIKey of 1-[2-(2,5-dimethylphenyl)sulfanylphenyl]-N-methylpropan-1-amine?
The InChIKey is CPLHLSBZSQTEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-5-16(19-4)15-8-6-7-9-17(15)20-18-12-13(2)10-11-14(18)3/h6-12,16,19H,5H2,1-4H3.
What are the key properties of 1-[2-(2,5-dimethylphenyl)sulfanylphenyl]-N-methylpropan-1-amine?
1-[2-(2,5-dimethylphenyl)sulfanylphenyl]-N-methylpropan-1-amine has a molecular weight of 285.46 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylphenyl)sulfanylphenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 115995797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).