2-methyl-N-[2-(2-methylsulfanylphenoxy)ethyl]butan-2-amine

C14H23NOS — CID 63649567

IUPAC2-methyl-N-[2-(2-methylsulfanylphenoxy)ethyl]butan-2-amine
SMILESCCC(C)(C)NCCOc1ccccc1SC
InChIInChI=1S/C14H23NOS/c1-5-14(2,3)15-10-11-16-12-8-6-7-9-13(12)17-4/h6-9,15H,5,10-11H2,1-4H3
InChIKeyXXHTUNQKUJDZTD-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.57
Rot. Bonds7

About 2-methyl-N-[2-(2-methylsulfanylphenoxy)ethyl]butan-2-amine

2-methyl-N-[2-(2-methylsulfanylphenoxy)ethyl]butan-2-amine (PubChem CID 63649567) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methylsulfanylphenoxy)ethyl]butan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methylsulfanylphenoxy)ethyl]butan-2-amine
PubChem CID63649567
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-methyl-N-[2-(2-methylsulfanylphenoxy)ethyl]butan-2-amine
SMILESCCC(C)(C)NCCOc1ccccc1SC
InChIInChI=1S/C14H23NOS/c1-5-14(2,3)15-10-11-16-12-8-6-7-9-13(12)17-4/h6-9,15H,5,10-11H2,1-4H3
InChIKeyXXHTUNQKUJDZTD-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.57
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

N-[2-(2-ethoxyphenoxy)ethyl]-2-methylbutan-2-amine
CID 55088165
2-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 54853093
N-[2-(2,4-difluorophenoxy)ethyl]-2-methylbutan-2-amine
CID 62572855
4-bromo-N-[2-(2-methylsulfanylphenoxy)ethyl]aniline
CID 63648942
N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]-2-methylbutan-2-amine
CID 103175670
N',N'-dimethyl-N-[2-(2-methylsulfanylphenoxy)ethyl]propane-1,3-diamine
CID 55244631
N-[2-(2-methylsulfanylphenoxy)ethyl]cyclohexanamine
CID 63649255
3-(2-methylsulfanylphenoxy)propan-1-ol
CID 63648478
1-[2-(2-hexoxyethoxy)ethoxy]-2-methylsulfanylbenzene
CID 58828233
2,2-dimethyl-4-(2-methylsulfanylphenoxy)butanoic acid
CID 65247827
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylpropan-2-amine
CID 55070885
N-[2-(2,6-dibromophenoxy)ethyl]-2-methylbutan-2-amine
CID 62598982

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methylsulfanylphenoxy)ethyl]butan-2-amine?
The IUPAC name of 2-methyl-N-[2-(2-methylsulfanylphenoxy)ethyl]butan-2-amine (CID 63649567) is 2-methyl-N-[2-(2-methylsulfanylphenoxy)ethyl]butan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(2-methylsulfanylphenoxy)ethyl]butan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(2-methylsulfanylphenoxy)ethyl]butan-2-amine is CCC(C)(C)NCCOc1ccccc1SC.
What is the InChIKey of 2-methyl-N-[2-(2-methylsulfanylphenoxy)ethyl]butan-2-amine?
The InChIKey is XXHTUNQKUJDZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-5-14(2,3)15-10-11-16-12-8-6-7-9-13(12)17-4/h6-9,15H,5,10-11H2,1-4H3.
What are the key properties of 2-methyl-N-[2-(2-methylsulfanylphenoxy)ethyl]butan-2-amine?
2-methyl-N-[2-(2-methylsulfanylphenoxy)ethyl]butan-2-amine has a molecular weight of 253.41 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methylsulfanylphenoxy)ethyl]butan-2-amine is sourced from PubChem (CID 63649567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).