2-butylsulfanyl-1-(2,4,6-trimethylphenyl)ethanamine

C15H25NS — CID 64609235

IUPAC2-butylsulfanyl-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCCCCSCC(N)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H25NS/c1-5-6-7-17-10-14(16)15-12(3)8-11(2)9-13(15)4/h8-9,14H,5-7,10,16H2,1-4H3
InChIKeyUMNOBNUCVFIASK-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.14
Rot. Bonds6

About 2-butylsulfanyl-1-(2,4,6-trimethylphenyl)ethanamine

2-butylsulfanyl-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 64609235) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 2-butylsulfanyl-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-butylsulfanyl-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID64609235
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name2-butylsulfanyl-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCCCCSCC(N)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H25NS/c1-5-6-7-17-10-14(16)15-12(3)8-11(2)9-13(15)4/h8-9,14H,5-7,10,16H2,1-4H3
InChIKeyUMNOBNUCVFIASK-UHFFFAOYSA-N
XLogP4.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,4,6-trimethylphenyl)heptan-1-amine
CID 114752275
1-(3,4-dimethylphenyl)-2-pentylsulfanylethanamine
CID 107763036
2-butylsulfanyl-1-phenylethanamine
CID 63771735
2-[(3-methylphenyl)methylsulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 64633986
2-butylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine
CID 64611096
(1R)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517545
2-(5-methylpyrimidin-2-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 64626405
2-(3,4-dimethylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 63522355
2-(4-ethylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 115803358
N'-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 66808820
1-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanamine
CID 106680616
2-butylsulfanyl-1-(4-phenylphenyl)ethanamine
CID 64611302

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 2-butylsulfanyl-1-(2,4,6-trimethylphenyl)ethanamine (CID 64609235) is 2-butylsulfanyl-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-butylsulfanyl-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 2-butylsulfanyl-1-(2,4,6-trimethylphenyl)ethanamine is CCCCSCC(N)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-butylsulfanyl-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is UMNOBNUCVFIASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-5-6-7-17-10-14(16)15-12(3)8-11(2)9-13(15)4/h8-9,14H,5-7,10,16H2,1-4H3.
What are the key properties of 2-butylsulfanyl-1-(2,4,6-trimethylphenyl)ethanamine?
2-butylsulfanyl-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 251.44 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 64609235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).