N-methylethanamine;2,4,6-triethylphenol

C15H27NO — CID 19419371

IUPACN-methylethanamine;2,4,6-triethylphenol
SMILESCCNC.CCc1cc(CC)c(O)c(CC)c1
InChIInChI=1S/C12H18O.C3H9N/c1-4-9-7-10(5-2)12(13)11(6-3)8-9;1-3-4-2/h7-8,13H,4-6H2,1-3H3;4H,3H2,1-2H3
InChIKeyXVHROTBDSLPLIA-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.31
Rot. Bonds4

About N-methylethanamine;2,4,6-triethylphenol

N-methylethanamine;2,4,6-triethylphenol (PubChem CID 19419371) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-methylethanamine;2,4,6-triethylphenol.

Molecular Properties

Compound NameN-methylethanamine;2,4,6-triethylphenol
PubChem CID19419371
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-methylethanamine;2,4,6-triethylphenol
SMILESCCNC.CCc1cc(CC)c(O)c(CC)c1
InChIInChI=1S/C12H18O.C3H9N/c1-4-9-7-10(5-2)12(13)11(6-3)8-9;1-3-4-2/h7-8,13H,4-6H2,1-3H3;4H,3H2,1-2H3
InChIKeyXVHROTBDSLPLIA-UHFFFAOYSA-N
XLogP3.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methylethanamine;2,4,6-triethylphenol?
The IUPAC name of N-methylethanamine;2,4,6-triethylphenol (CID 19419371) is N-methylethanamine;2,4,6-triethylphenol.
What is the SMILES notation for N-methylethanamine;2,4,6-triethylphenol?
The canonical SMILES for N-methylethanamine;2,4,6-triethylphenol is CCNC.CCc1cc(CC)c(O)c(CC)c1.
What is the InChIKey of N-methylethanamine;2,4,6-triethylphenol?
The InChIKey is XVHROTBDSLPLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O.C3H9N/c1-4-9-7-10(5-2)12(13)11(6-3)8-9;1-3-4-2/h7-8,13H,4-6H2,1-3H3;4H,3H2,1-2H3.
What are the key properties of N-methylethanamine;2,4,6-triethylphenol?
N-methylethanamine;2,4,6-triethylphenol has a molecular weight of 237.39 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylethanamine;2,4,6-triethylphenol is sourced from PubChem (CID 19419371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).