1-(3,5-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine

C19H25NS — CID 66088736

IUPAC1-(3,5-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
SMILESCNC(CSc1cccc(C)c1)Cc1cc(C)cc(C)c1
InChIInChI=1S/C19H25NS/c1-14-6-5-7-19(11-14)21-13-18(20-4)12-17-9-15(2)8-16(3)10-17/h5-11,18,20H,12-13H2,1-4H3
InChIKeyMFIRGMUKSFLKLH-UHFFFAOYSA-N
MW299.48 g/mol
LogP4.53
Rot. Bonds6

About 1-(3,5-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine

1-(3,5-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine (PubChem CID 66088736) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
PubChem CID66088736
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC Name1-(3,5-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
SMILESCNC(CSc1cccc(C)c1)Cc1cc(C)cc(C)c1
InChIInChI=1S/C19H25NS/c1-14-6-5-7-19(11-14)21-13-18(20-4)12-17-9-15(2)8-16(3)10-17/h5-11,18,20H,12-13H2,1-4H3
InChIKeyMFIRGMUKSFLKLH-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66087965
1-(3-chloro-4-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 103040177
N-methyl-1-(2-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088351
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)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088346
N-methyl-1-(3-methylphenyl)sulfanylpent-4-en-2-amine
CID 66088350
1-(2-chlorophenyl)sulfanyl-3-(3,5-dimethylphenyl)-N-methylpropan-2-amine
CID 66140357
N-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 66087577
N-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049673
1-(3-chloro-2-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 102857682
N-ethyl-1-(4-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66087202

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine (CID 66088736) is 1-(3,5-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine is CNC(CSc1cccc(C)c1)Cc1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine?
The InChIKey is MFIRGMUKSFLKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-14-6-5-7-19(11-14)21-13-18(20-4)12-17-9-15(2)8-16(3)10-17/h5-11,18,20H,12-13H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine?
1-(3,5-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine has a molecular weight of 299.48 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 66088736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).