methyl-[2-(3-methylphenoxy)ethyl]azanium

C10H16NO+ — CID 7131761

IUPACmethyl-[2-(3-methylphenoxy)ethyl]azanium
SMILESC[NH2+]CCOc1cccc(C)c1
InChIInChI=1S/C10H15NO/c1-9-4-3-5-10(8-9)12-7-6-11-2/h3-5,8,11H,6-7H2,1-2H3/p+1
InChIKeySRAUDTDSROSIAV-UHFFFAOYSA-O
MW166.24 g/mol
LogP0.57
Rot. Bonds4

About methyl-[2-(3-methylphenoxy)ethyl]azanium

methyl-[2-(3-methylphenoxy)ethyl]azanium (PubChem CID 7131761) has the molecular formula C10H16NO+ and a molecular weight of 166.24 g/mol. Its IUPAC name is methyl-[2-(3-methylphenoxy)ethyl]azanium.

Molecular Properties

Compound Namemethyl-[2-(3-methylphenoxy)ethyl]azanium
PubChem CID7131761
Molecular FormulaC10H16NO+
Molecular Weight166.24 g/mol
Exact Mass166.12
IUPAC Namemethyl-[2-(3-methylphenoxy)ethyl]azanium
SMILESC[NH2+]CCOc1cccc(C)c1
InChIInChI=1S/C10H15NO/c1-9-4-3-5-10(8-9)12-7-6-11-2/h3-5,8,11H,6-7H2,1-2H3/p+1
InChIKeySRAUDTDSROSIAV-UHFFFAOYSA-O
XLogP0.57
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
methyl-[2-(3-phenoxyphenoxy)ethyl]azanium
CID 2199745
1-methoxy-4-[2-(3-methylphenoxy)ethoxy]benzene
CID 14047829
benzyl-[2-(3-methylphenoxy)ethyl]azanium
CID 2181236
1-methoxy-4-[4-(3-methylphenoxy)butoxy]benzene
CID 2251707
1-(3-iodopropoxy)-3-methylbenzene
CID 64788353
1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene
CID 2284499
trimethyl-[2-(3-methylphenoxy)ethyl]azanium iodide
CID 160571786
1-methyl-3-pentadecoxybenzene
CID 154641822
1-hexadecoxy-3-methylbenzene
CID 154641790
3-[4-(3-methylphenoxy)butoxy]aniline
CID 39109349

Frequently Asked Questions

What is the IUPAC name of methyl-[2-(3-methylphenoxy)ethyl]azanium?
The IUPAC name of methyl-[2-(3-methylphenoxy)ethyl]azanium (CID 7131761) is methyl-[2-(3-methylphenoxy)ethyl]azanium.
What is the SMILES notation for methyl-[2-(3-methylphenoxy)ethyl]azanium?
The canonical SMILES for methyl-[2-(3-methylphenoxy)ethyl]azanium is C[NH2+]CCOc1cccc(C)c1.
What is the InChIKey of methyl-[2-(3-methylphenoxy)ethyl]azanium?
The InChIKey is SRAUDTDSROSIAV-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H15NO/c1-9-4-3-5-10(8-9)12-7-6-11-2/h3-5,8,11H,6-7H2,1-2H3/p+1.
What are the key properties of methyl-[2-(3-methylphenoxy)ethyl]azanium?
methyl-[2-(3-methylphenoxy)ethyl]azanium has a molecular weight of 166.24 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-(3-methylphenoxy)ethyl]azanium is sourced from PubChem (CID 7131761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).