N-methyl-1-(2-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine

C18H23NS — CID 66088351

IUPACN-methyl-1-(2-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine
SMILESCNC(CSc1cccc(C)c1)Cc1ccccc1C
InChIInChI=1S/C18H23NS/c1-14-7-6-10-18(11-14)20-13-17(19-3)12-16-9-5-4-8-15(16)2/h4-11,17,19H,12-13H2,1-3H3
InChIKeyMUFFOZFFQURGIY-UHFFFAOYSA-N
MW285.46 g/mol
LogP4.23
Rot. Bonds6

About N-methyl-1-(2-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine

N-methyl-1-(2-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine (PubChem CID 66088351) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is N-methyl-1-(2-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine
PubChem CID66088351
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC NameN-methyl-1-(2-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine
SMILESCNC(CSc1cccc(C)c1)Cc1ccccc1C
InChIInChI=1S/C18H23NS/c1-14-7-6-10-18(11-14)20-13-17(19-3)12-16-9-5-4-8-15(16)2/h4-11,17,19H,12-13H2,1-3H3
InChIKeyMUFFOZFFQURGIY-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088346
1-(3-chloro-2-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 102857682
1-(3,5-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088736
1-(3,4-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66087965
1-(3-chlorophenyl)sulfanyl-3-(2,5-dimethylphenyl)-N-methylpropan-2-amine
CID 66145796
1-(2,6-dichlorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088936
N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine
CID 64626090
1-(2-fluorophenyl)sulfanyl-N-methyl-3-(2-methylphenyl)propan-2-amine
CID 66051734
N-methyl-1-(3-methylphenyl)sulfanylpent-4-en-2-amine
CID 66088350
N-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 66087577
1-(3-chloro-4-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 103040177
N-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049673

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine?
The IUPAC name of N-methyl-1-(2-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine (CID 66088351) is N-methyl-1-(2-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine.
What is the SMILES notation for N-methyl-1-(2-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine?
The canonical SMILES for N-methyl-1-(2-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine is CNC(CSc1cccc(C)c1)Cc1ccccc1C.
What is the InChIKey of N-methyl-1-(2-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine?
The InChIKey is MUFFOZFFQURGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-14-7-6-10-18(11-14)20-13-17(19-3)12-16-9-5-4-8-15(16)2/h4-11,17,19H,12-13H2,1-3H3.
What are the key properties of N-methyl-1-(2-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine?
N-methyl-1-(2-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine has a molecular weight of 285.46 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 66088351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).