1-tert-butylsulfanyl-N-methyl-3-(2-methylphenyl)propan-2-amine

C15H25NS — CID 65132723

IUPAC1-tert-butylsulfanyl-N-methyl-3-(2-methylphenyl)propan-2-amine
SMILESCNC(CSC(C)(C)C)Cc1ccccc1C
InChIInChI=1S/C15H25NS/c1-12-8-6-7-9-13(12)10-14(16-5)11-17-15(2,3)4/h6-9,14,16H,10-11H2,1-5H3
InChIKeyXQGZALGQGLYLLX-UHFFFAOYSA-N
MW251.44 g/mol
LogP3.66
Rot. Bonds5

About 1-tert-butylsulfanyl-N-methyl-3-(2-methylphenyl)propan-2-amine

1-tert-butylsulfanyl-N-methyl-3-(2-methylphenyl)propan-2-amine (PubChem CID 65132723) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 1-tert-butylsulfanyl-N-methyl-3-(2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-tert-butylsulfanyl-N-methyl-3-(2-methylphenyl)propan-2-amine
PubChem CID65132723
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name1-tert-butylsulfanyl-N-methyl-3-(2-methylphenyl)propan-2-amine
SMILESCNC(CSC(C)(C)C)Cc1ccccc1C
InChIInChI=1S/C15H25NS/c1-12-8-6-7-9-13(12)10-14(16-5)11-17-15(2,3)4/h6-9,14,16H,10-11H2,1-5H3
InChIKeyXQGZALGQGLYLLX-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,4,4-trimethyl-1-(2-methylphenyl)pentan-2-amine
CID 61065068
1-tert-butylsulfanyl-N-methyl-3-phenylpropan-2-amine
CID 65132386
N-methyl-1-(2-methylphenyl)butan-2-amine
CID 60820425
1-(2-fluorophenyl)sulfanyl-N-methyl-3-(2-methylphenyl)propan-2-amine
CID 66051734
N-methyl-1-(2-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088351
1-tert-butylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine
CID 65321783
N,6-dimethyl-1-(2-methylphenyl)heptan-2-amine
CID 83161242
N-methyl-1-(2-methylphenyl)octan-2-amine
CID 62605223
1-(3-bromophenyl)-N-methyl-3-(2-methylphenyl)propan-2-amine
CID 60819427
1-methoxy-N-methyl-3-[(2-methylphenyl)methylsulfanyl]propan-2-amine
CID 107511414
N,3-dimethyl-1-(2-methylphenyl)-3-phenylbutan-2-amine
CID 63084673
5-ethylsulfonyl-N-methyl-1-(2-methylphenyl)pentan-2-amine
CID 65095703

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanyl-N-methyl-3-(2-methylphenyl)propan-2-amine?
The IUPAC name of 1-tert-butylsulfanyl-N-methyl-3-(2-methylphenyl)propan-2-amine (CID 65132723) is 1-tert-butylsulfanyl-N-methyl-3-(2-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-tert-butylsulfanyl-N-methyl-3-(2-methylphenyl)propan-2-amine?
The canonical SMILES for 1-tert-butylsulfanyl-N-methyl-3-(2-methylphenyl)propan-2-amine is CNC(CSC(C)(C)C)Cc1ccccc1C.
What is the InChIKey of 1-tert-butylsulfanyl-N-methyl-3-(2-methylphenyl)propan-2-amine?
The InChIKey is XQGZALGQGLYLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-12-8-6-7-9-13(12)10-14(16-5)11-17-15(2,3)4/h6-9,14,16H,10-11H2,1-5H3.
What are the key properties of 1-tert-butylsulfanyl-N-methyl-3-(2-methylphenyl)propan-2-amine?
1-tert-butylsulfanyl-N-methyl-3-(2-methylphenyl)propan-2-amine has a molecular weight of 251.44 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanyl-N-methyl-3-(2-methylphenyl)propan-2-amine is sourced from PubChem (CID 65132723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).