5-methoxy-N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine

C14H23NOS — CID 114856059

IUPAC5-methoxy-N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine
SMILESCNC(CCCOC)CSc1cccc(C)c1
InChIInChI=1S/C14H23NOS/c1-12-6-4-8-14(10-12)17-11-13(15-2)7-5-9-16-3/h4,6,8,10,13,15H,5,7,9,11H2,1-3H3
InChIKeyJHWMGZBYPIIJKU-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.10
Rot. Bonds8

About 5-methoxy-N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine

5-methoxy-N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine (PubChem CID 114856059) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 5-methoxy-N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine.

Molecular Properties

Compound Name5-methoxy-N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine
PubChem CID114856059
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name5-methoxy-N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine
SMILESCNC(CCCOC)CSc1cccc(C)c1
InChIInChI=1S/C14H23NOS/c1-12-6-4-8-14(10-12)17-11-13(15-2)7-5-9-16-3/h4,6,8,10,13,15H,5,7,9,11H2,1-3H3
InChIKeyJHWMGZBYPIIJKU-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-N-methyl-1-phenylsulfanylpentan-2-amine
CID 115646803
N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine
CID 64626090
N-methyl-6-(3-methylphenyl)sulfanylhexan-3-amine
CID 106808414
1-(3,5-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088736
N-methyl-1-(3-methylphenyl)sulfanylpent-4-en-2-amine
CID 66088350
N-ethyl-6-methyl-1-(3-methylphenyl)sulfanylheptan-2-amine
CID 83160945
2-(methylamino)-4-(3-methylphenyl)sulfanylbutan-1-ol
CID 64806432
1-(2,6-dichlorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088936
1-(3-methylphenyl)sulfanyl-N-propylhexan-2-amine
CID 66086046
N-methyl-1-(2-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088351
1-(3,4-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66087965
1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine
CID 66070424

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine?
The IUPAC name of 5-methoxy-N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine (CID 114856059) is 5-methoxy-N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine.
What is the SMILES notation for 5-methoxy-N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine?
The canonical SMILES for 5-methoxy-N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine is CNC(CCCOC)CSc1cccc(C)c1.
What is the InChIKey of 5-methoxy-N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine?
The InChIKey is JHWMGZBYPIIJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-12-6-4-8-14(10-12)17-11-13(15-2)7-5-9-16-3/h4,6,8,10,13,15H,5,7,9,11H2,1-3H3.
What are the key properties of 5-methoxy-N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine?
5-methoxy-N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine has a molecular weight of 253.41 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine is sourced from PubChem (CID 114856059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).