2-methyl-2-methylsulfanyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine

C15H23NOS — CID 115664554

IUPAC2-methyl-2-methylsulfanyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine
SMILESC=CCOc1ccccc1CNCC(C)(C)SC
InChIInChI=1S/C15H23NOS/c1-5-10-17-14-9-7-6-8-13(14)11-16-12-15(2,3)18-4/h5-9,16H,1,10-12H2,2-4H3
InChIKeyCCSDLAZRVKMHGO-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.48
Rot. Bonds8

About 2-methyl-2-methylsulfanyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine

2-methyl-2-methylsulfanyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine (PubChem CID 115664554) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-methyl-2-methylsulfanyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-methylsulfanyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine
PubChem CID115664554
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name2-methyl-2-methylsulfanyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine
SMILESC=CCOc1ccccc1CNCC(C)(C)SC
InChIInChI=1S/C15H23NOS/c1-5-10-17-14-9-7-6-8-13(14)11-16-12-15(2,3)18-4/h5-9,16H,1,10-12H2,2-4H3
InChIKeyCCSDLAZRVKMHGO-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-methylsulfanyl-N-[(2-prop-2-enoxyphenyl)methyl]butan-1-amine
CID 103702186
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 7937412
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
CID 17123243
N-[(2-prop-2-enoxyphenyl)methyl]but-2-yn-1-amine
CID 115866301
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-thiophen-2-ylpropan-1-amine
CID 78963178
2,2-difluoro-3-[(2-prop-2-enoxyphenyl)methylamino]propan-1-ol
CID 104857715
2-methylsulfanyl-N-[(2-prop-2-enoxyphenyl)methyl]aniline
CID 43780942
N-[(2-fluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine
CID 43221042
2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
CID 7937309
2-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propane-1,3-diol
CID 7935968
1,1-dimethyl-2-[(2-prop-2-enoxyphenyl)methyl]hydrazine
CID 83005876

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfanyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-2-methylsulfanyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine (CID 115664554) is 2-methyl-2-methylsulfanyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-2-methylsulfanyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-2-methylsulfanyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine is C=CCOc1ccccc1CNCC(C)(C)SC.
What is the InChIKey of 2-methyl-2-methylsulfanyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine?
The InChIKey is CCSDLAZRVKMHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-5-10-17-14-9-7-6-8-13(14)11-16-12-15(2,3)18-4/h5-9,16H,1,10-12H2,2-4H3.
What are the key properties of 2-methyl-2-methylsulfanyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine?
2-methyl-2-methylsulfanyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfanyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 115664554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).