1-(2-methoxy-5-methylphenyl)-2-pentylsulfonylethanamine

C15H25NO3S — CID 107758540

IUPAC1-(2-methoxy-5-methylphenyl)-2-pentylsulfonylethanamine
SMILESCCCCCS(=O)(=O)CC(N)c1cc(C)ccc1OC
InChIInChI=1S/C15H25NO3S/c1-4-5-6-9-20(17,18)11-14(16)13-10-12(2)7-8-15(13)19-3/h7-8,10,14H,4-6,9,11,16H2,1-3H3
InChIKeyIYJDLMKZOPBASG-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.61
Rot. Bonds8

About 1-(2-methoxy-5-methylphenyl)-2-pentylsulfonylethanamine

1-(2-methoxy-5-methylphenyl)-2-pentylsulfonylethanamine (PubChem CID 107758540) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-2-pentylsulfonylethanamine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-2-pentylsulfonylethanamine
PubChem CID107758540
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name1-(2-methoxy-5-methylphenyl)-2-pentylsulfonylethanamine
SMILESCCCCCS(=O)(=O)CC(N)c1cc(C)ccc1OC
InChIInChI=1S/C15H25NO3S/c1-4-5-6-9-20(17,18)11-14(16)13-10-12(2)7-8-15(13)19-3/h7-8,10,14H,4-6,9,11,16H2,1-3H3
InChIKeyIYJDLMKZOPBASG-UHFFFAOYSA-N
XLogP2.61
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxy-5-methylphenyl)-2-(3-methoxypropylsulfonyl)ethanamine
CID 64674070
2-butylsulfonyl-1-(2,5-dimethoxyphenyl)ethanamine
CID 64674550
2-butylsulfonyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64675735
methyl 3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]sulfonylpropanoate
CID 64675155
1-(2,4-dimethylphenyl)-2-pentylsulfonylethanamine
CID 107758585
1-(2-methoxy-5-methylphenyl)decan-1-amine
CID 65449338
1-(2-methoxy-5-methylphenyl)undecan-1-amine
CID 115845828
2-amino-2-(2-methoxy-5-methylphenyl)-N,N-dimethylethanesulfonamide
CID 82359813
2-heptoxy-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43127467
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
1-(2,5-dimethoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanamine
CID 64647107
N'-ethyl-1-(2-methoxy-5-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 43265729

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-pentylsulfonylethanamine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-pentylsulfonylethanamine (CID 107758540) is 1-(2-methoxy-5-methylphenyl)-2-pentylsulfonylethanamine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-2-pentylsulfonylethanamine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-2-pentylsulfonylethanamine is CCCCCS(=O)(=O)CC(N)c1cc(C)ccc1OC.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-2-pentylsulfonylethanamine?
The InChIKey is IYJDLMKZOPBASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-4-5-6-9-20(17,18)11-14(16)13-10-12(2)7-8-15(13)19-3/h7-8,10,14H,4-6,9,11,16H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-2-pentylsulfonylethanamine?
1-(2-methoxy-5-methylphenyl)-2-pentylsulfonylethanamine has a molecular weight of 299.44 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-2-pentylsulfonylethanamine is sourced from PubChem (CID 107758540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).