1-(4-ethylphenyl)-N-methyl-2-pentylsulfanylethanamine

C16H27NS — CID 107763142

IUPAC1-(4-ethylphenyl)-N-methyl-2-pentylsulfanylethanamine
SMILESCCCCCSCC(NC)c1ccc(CC)cc1
InChIInChI=1S/C16H27NS/c1-4-6-7-12-18-13-16(17-3)15-10-8-14(5-2)9-11-15/h8-11,16-17H,4-7,12-13H2,1-3H3
InChIKeyGHVCTXDENUULJQ-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.43
Rot. Bonds9

About 1-(4-ethylphenyl)-N-methyl-2-pentylsulfanylethanamine

1-(4-ethylphenyl)-N-methyl-2-pentylsulfanylethanamine (PubChem CID 107763142) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-methyl-2-pentylsulfanylethanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-methyl-2-pentylsulfanylethanamine
PubChem CID107763142
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name1-(4-ethylphenyl)-N-methyl-2-pentylsulfanylethanamine
SMILESCCCCCSCC(NC)c1ccc(CC)cc1
InChIInChI=1S/C16H27NS/c1-4-6-7-12-18-13-16(17-3)15-10-8-14(5-2)9-11-15/h8-11,16-17H,4-7,12-13H2,1-3H3
InChIKeyGHVCTXDENUULJQ-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.43
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-methyl-2-pentylsulfanylethanamine?
The IUPAC name of 1-(4-ethylphenyl)-N-methyl-2-pentylsulfanylethanamine (CID 107763142) is 1-(4-ethylphenyl)-N-methyl-2-pentylsulfanylethanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-methyl-2-pentylsulfanylethanamine?
The canonical SMILES for 1-(4-ethylphenyl)-N-methyl-2-pentylsulfanylethanamine is CCCCCSCC(NC)c1ccc(CC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-methyl-2-pentylsulfanylethanamine?
The InChIKey is GHVCTXDENUULJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-4-6-7-12-18-13-16(17-3)15-10-8-14(5-2)9-11-15/h8-11,16-17H,4-7,12-13H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-N-methyl-2-pentylsulfanylethanamine?
1-(4-ethylphenyl)-N-methyl-2-pentylsulfanylethanamine has a molecular weight of 265.47 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-methyl-2-pentylsulfanylethanamine is sourced from PubChem (CID 107763142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).