(2-methoxy-5-methylphenyl)methyl-[2-(4-methylphenoxy)ethyl]azanium

C18H24NO2+ — CID 8851175

IUPAC(2-methoxy-5-methylphenyl)methyl-[2-(4-methylphenoxy)ethyl]azanium
SMILESCOc1ccc(C)cc1C[NH2+]CCOc1ccc(C)cc1
InChIInChI=1S/C18H23NO2/c1-14-4-7-17(8-5-14)21-11-10-19-13-16-12-15(2)6-9-18(16)20-3/h4-9,12,19H,10-11,13H2,1-3H3/p+1
InChIKeyPITJOWYCTIXNMO-UHFFFAOYSA-O
MW286.40 g/mol
LogP2.45
Rot. Bonds7

About (2-methoxy-5-methylphenyl)methyl-[2-(4-methylphenoxy)ethyl]azanium

(2-methoxy-5-methylphenyl)methyl-[2-(4-methylphenoxy)ethyl]azanium (PubChem CID 8851175) has the molecular formula C18H24NO2+ and a molecular weight of 286.40 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)methyl-[2-(4-methylphenoxy)ethyl]azanium.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)methyl-[2-(4-methylphenoxy)ethyl]azanium
PubChem CID8851175
Molecular FormulaC18H24NO2+
Molecular Weight286.40 g/mol
Exact Mass286.18
IUPAC Name(2-methoxy-5-methylphenyl)methyl-[2-(4-methylphenoxy)ethyl]azanium
SMILESCOc1ccc(C)cc1C[NH2+]CCOc1ccc(C)cc1
InChIInChI=1S/C18H23NO2/c1-14-4-7-17(8-5-14)21-11-10-19-13-16-12-15(2)6-9-18(16)20-3/h4-9,12,19H,10-11,13H2,1-3H3/p+1
InChIKeyPITJOWYCTIXNMO-UHFFFAOYSA-O
XLogP2.45
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methoxy-5-methylphenyl)methyl]-4-propoxyaniline
CID 62327636
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
(1S)-1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]propan-1-ol
CID 78934350
2-methoxy-5-methyl-N-[4-(4-methylphenoxy)butyl]aniline
CID 82096579
1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanone
CID 60661065
1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanamine
CID 62156324
2-(2-methoxy-5-methylphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]azanium
CID 8851252
1-[3-(4-ethylphenoxy)propoxy]-2-methoxy-4-methylbenzene
CID 2288865
1,2-bis(2-methoxy-5-methylphenyl)ethanol
CID 115781516
(2-methoxy-5-methylphenyl)methyl-trimethylsilane
CID 141465677
2-(2,5-dimethoxyphenyl)-N-[4-(4-methylphenoxy)butyl]acetamide
CID 78882858
4-methoxy-1-(2-methoxy-5-methylphenyl)butan-2-ol
CID 62161184

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)methyl-[2-(4-methylphenoxy)ethyl]azanium?
The IUPAC name of (2-methoxy-5-methylphenyl)methyl-[2-(4-methylphenoxy)ethyl]azanium (CID 8851175) is (2-methoxy-5-methylphenyl)methyl-[2-(4-methylphenoxy)ethyl]azanium.
What is the SMILES notation for (2-methoxy-5-methylphenyl)methyl-[2-(4-methylphenoxy)ethyl]azanium?
The canonical SMILES for (2-methoxy-5-methylphenyl)methyl-[2-(4-methylphenoxy)ethyl]azanium is COc1ccc(C)cc1C[NH2+]CCOc1ccc(C)cc1.
What is the InChIKey of (2-methoxy-5-methylphenyl)methyl-[2-(4-methylphenoxy)ethyl]azanium?
The InChIKey is PITJOWYCTIXNMO-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H23NO2/c1-14-4-7-17(8-5-14)21-11-10-19-13-16-12-15(2)6-9-18(16)20-3/h4-9,12,19H,10-11,13H2,1-3H3/p+1.
What are the key properties of (2-methoxy-5-methylphenyl)methyl-[2-(4-methylphenoxy)ethyl]azanium?
(2-methoxy-5-methylphenyl)methyl-[2-(4-methylphenoxy)ethyl]azanium has a molecular weight of 286.40 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylphenyl)methyl-[2-(4-methylphenoxy)ethyl]azanium is sourced from PubChem (CID 8851175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).