2-butylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine

C15H25NS — CID 64611096

IUPAC2-butylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine
SMILESCCCCSCC(N)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H25NS/c1-4-5-10-17-11-15(16)14-8-6-13(7-9-14)12(2)3/h6-9,12,15H,4-5,10-11,16H2,1-3H3
InChIKeyGJVGQYYDXXQPMZ-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.34
Rot. Bonds7

About 2-butylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine

2-butylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 64611096) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 2-butylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-butylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID64611096
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name2-butylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine
SMILESCCCCSCC(N)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H25NS/c1-4-5-10-17-11-15(16)14-8-6-13(7-9-14)12(2)3/h6-9,12,15H,4-5,10-11,16H2,1-3H3
InChIKeyGJVGQYYDXXQPMZ-UHFFFAOYSA-N
XLogP4.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.34
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

2-butylsulfanyl-1-phenylethanamine
CID 63771735
2-butylsulfanyl-1-(4-phenylphenyl)ethanamine
CID 64611302
1-(3,4-dimethylphenyl)-2-pentylsulfanylethanamine
CID 107763036
1-(4-fluorophenyl)-2-propylsulfanylethanamine
CID 65128851
(1R)-1-(4-propan-2-ylphenyl)butan-1-amine
CID 78960974
(1R)-1-(4-propan-2-ylphenyl)butan-1-amine;hydrochloride
CID 171200402
2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine
CID 64621935
1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine
CID 64627665
2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanamine
CID 43127437
2-butylsulfanyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 64609235
2-(3-methylbutylsulfanyl)-1-phenylethanamine
CID 107754777
(1R)-2-fluoro-1-(4-propan-2-ylphenyl)ethanamine
CID 124704459

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 2-butylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine (CID 64611096) is 2-butylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 2-butylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 2-butylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine is CCCCSCC(N)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-butylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is GJVGQYYDXXQPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-4-5-10-17-11-15(16)14-8-6-13(7-9-14)12(2)3/h6-9,12,15H,4-5,10-11,16H2,1-3H3.
What are the key properties of 2-butylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine?
2-butylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 251.44 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 64611096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).