1-[5-methyl-2-(3-methylbutylsulfanyl)phenyl]butan-2-amine

C16H27NS — CID 114057677

IUPAC1-[5-methyl-2-(3-methylbutylsulfanyl)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(C)ccc1SCCC(C)C
InChIInChI=1S/C16H27NS/c1-5-15(17)11-14-10-13(4)6-7-16(14)18-9-8-12(2)3/h6-7,10,12,15H,5,8-9,11,17H2,1-4H3
InChIKeyOQPIRWSROLFFSP-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.41
Rot. Bonds7

About 1-[5-methyl-2-(3-methylbutylsulfanyl)phenyl]butan-2-amine

1-[5-methyl-2-(3-methylbutylsulfanyl)phenyl]butan-2-amine (PubChem CID 114057677) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is 1-[5-methyl-2-(3-methylbutylsulfanyl)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[5-methyl-2-(3-methylbutylsulfanyl)phenyl]butan-2-amine
PubChem CID114057677
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name1-[5-methyl-2-(3-methylbutylsulfanyl)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(C)ccc1SCCC(C)C
InChIInChI=1S/C16H27NS/c1-5-15(17)11-14-10-13(4)6-7-16(14)18-9-8-12(2)3/h6-7,10,12,15H,5,8-9,11,17H2,1-4H3
InChIKeyOQPIRWSROLFFSP-UHFFFAOYSA-N
XLogP4.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[5-methyl-2-(3-methylbutylsulfanyl)phenyl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-methyl-2-(1,3-oxazol-2-ylsulfanyl)phenyl]butan-2-amine
CID 114057670
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680
1-(2-bromo-4-methylphenyl)butan-2-amine;hydrochloride
CID 170889223
1-(2-methoxy-5-methylphenyl)-5-methylhexan-2-amine
CID 55041467
1-(2,5-dimethylphenyl)pentan-3-amine
CID 61481640
4-(2,5-dimethylphenyl)sulfanylbutan-2-amine
CID 64650590
1-(2,5-dimethylphenyl)-4-methylpentan-2-amine
CID 61482046
ethyl 2-[2-(2-aminobutyl)-4-methylphenoxy]propanoate
CID 63326295
1-[2-methyl-4-(2-methylbutylsulfanyl)phenyl]butan-2-amine
CID 107762435
1-(2-methyl-4-propan-2-ylsulfanylphenyl)butan-2-amine
CID 63819680
1-[2-(4-methoxybutoxy)-5-methylphenyl]butan-2-amine
CID 104648841
4-methyl-2-(3-methylbutylsulfanyl)benzenecarboximidamide
CID 107750181

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-(3-methylbutylsulfanyl)phenyl]butan-2-amine?
The IUPAC name of 1-[5-methyl-2-(3-methylbutylsulfanyl)phenyl]butan-2-amine (CID 114057677) is 1-[5-methyl-2-(3-methylbutylsulfanyl)phenyl]butan-2-amine.
What is the SMILES notation for 1-[5-methyl-2-(3-methylbutylsulfanyl)phenyl]butan-2-amine?
The canonical SMILES for 1-[5-methyl-2-(3-methylbutylsulfanyl)phenyl]butan-2-amine is CCC(N)Cc1cc(C)ccc1SCCC(C)C.
What is the InChIKey of 1-[5-methyl-2-(3-methylbutylsulfanyl)phenyl]butan-2-amine?
The InChIKey is OQPIRWSROLFFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-5-15(17)11-14-10-13(4)6-7-16(14)18-9-8-12(2)3/h6-7,10,12,15H,5,8-9,11,17H2,1-4H3.
What are the key properties of 1-[5-methyl-2-(3-methylbutylsulfanyl)phenyl]butan-2-amine?
1-[5-methyl-2-(3-methylbutylsulfanyl)phenyl]butan-2-amine has a molecular weight of 265.47 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-(3-methylbutylsulfanyl)phenyl]butan-2-amine is sourced from PubChem (CID 114057677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).