2-butylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine

C15H25NS — CID 64610280

IUPAC2-butylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine
SMILESCCCCSCC(NCC)c1ccccc1C
InChIInChI=1S/C15H25NS/c1-4-6-11-17-12-15(16-5-2)14-10-8-7-9-13(14)3/h7-10,15-16H,4-6,11-12H2,1-3H3
InChIKeyGZIDIOFUQLXIJB-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.18
Rot. Bonds8

About 2-butylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine

2-butylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine (PubChem CID 64610280) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 2-butylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-butylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine
PubChem CID64610280
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name2-butylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine
SMILESCCCCSCC(NCC)c1ccccc1C
InChIInChI=1S/C15H25NS/c1-4-6-11-17-12-15(16-5-2)14-10-8-7-9-13(14)3/h7-10,15-16H,4-6,11-12H2,1-3H3
InChIKeyGZIDIOFUQLXIJB-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.18
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

N-methyl-1-(2-methylphenyl)-2-pentylsulfanylethanamine
CID 107762989
2-butylsulfanyl-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 64612320
N-ethyl-1-naphthalen-1-yl-2-pentylsulfanylethanamine
CID 107762967
2-butan-2-ylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 64612599
2-butylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 64611504
N-[2-(2-methoxyethylsulfanyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 64614717
1-(2,5-dimethylphenyl)-N-ethyl-2-propylsulfanylethanamine
CID 64614076
1-(2,4-dimethylphenyl)-N-ethyl-2-propylsulfanylethanamine
CID 64614075
1-(3,4-dimethylphenyl)-N-ethyl-2-pentylsulfanylethanamine
CID 107762984
N-[1-(2-methoxyphenyl)-2-pentylsulfanylethyl]propan-1-amine
CID 107763020
2-(2,5-dichlorophenyl)sulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 64619490
N-benzyl-2-butylsulfanyl-1-phenylethanamine
CID 10851719

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine?
The IUPAC name of 2-butylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine (CID 64610280) is 2-butylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-butylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-butylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine is CCCCSCC(NCC)c1ccccc1C.
What is the InChIKey of 2-butylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine?
The InChIKey is GZIDIOFUQLXIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-4-6-11-17-12-15(16-5-2)14-10-8-7-9-13(14)3/h7-10,15-16H,4-6,11-12H2,1-3H3.
What are the key properties of 2-butylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine?
2-butylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine has a molecular weight of 251.44 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 64610280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).