N-methyl-4-(2-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine

C16H22N2S — CID 105159025

IUPACN-methyl-4-(2-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
SMILESCNC(CCc1ccccc1C)Cc1csc(C)n1
InChIInChI=1S/C16H22N2S/c1-12-6-4-5-7-14(12)8-9-15(17-3)10-16-11-19-13(2)18-16/h4-7,11,15,17H,8-10H2,1-3H3
InChIKeyWNMPFYOGVFXYOT-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.52
Rot. Bonds6

About N-methyl-4-(2-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine

N-methyl-4-(2-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine (PubChem CID 105159025) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-methyl-4-(2-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-4-(2-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
PubChem CID105159025
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-methyl-4-(2-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
SMILESCNC(CCc1ccccc1C)Cc1csc(C)n1
InChIInChI=1S/C16H22N2S/c1-12-6-4-5-7-14(12)8-9-15(17-3)10-16-11-19-13(2)18-16/h4-7,11,15,17H,8-10H2,1-3H3
InChIKeyWNMPFYOGVFXYOT-UHFFFAOYSA-N
XLogP3.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62798637
N,6-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)heptan-2-amine
CID 83162096
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-5-thiophen-2-ylpentan-2-amine
CID 105159077
1-(2-methyl-1,3-thiazol-4-yl)-4-phenyl-N-propylbutan-2-amine
CID 62798101
1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 105373853
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-naphthalen-2-ylpropan-2-amine
CID 105159050
1-(2-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 60664468
1-(4-chlorophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine
CID 62367103
1-(2-fluorophenyl)sulfanyl-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 66053665
[1-(2,6-dimethylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine
CID 105214705
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)hex-4-yn-2-amine
CID 62799510
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(4-propan-2-ylphenyl)propan-2-amine
CID 62799687

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine?
The IUPAC name of N-methyl-4-(2-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine (CID 105159025) is N-methyl-4-(2-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine.
What is the SMILES notation for N-methyl-4-(2-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine?
The canonical SMILES for N-methyl-4-(2-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine is CNC(CCc1ccccc1C)Cc1csc(C)n1.
What is the InChIKey of N-methyl-4-(2-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine?
The InChIKey is WNMPFYOGVFXYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-12-6-4-5-7-14(12)8-9-15(17-3)10-16-11-19-13(2)18-16/h4-7,11,15,17H,8-10H2,1-3H3.
What are the key properties of N-methyl-4-(2-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine?
N-methyl-4-(2-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine has a molecular weight of 274.43 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine is sourced from PubChem (CID 105159025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).