tert-butyl-[3-(4-methoxyphenoxy)propyl]azanium

C14H24NO2+ — CID 2249420

IUPACtert-butyl-[3-(4-methoxyphenoxy)propyl]azanium
SMILESCOc1ccc(OCCC[NH2+]C(C)(C)C)cc1
InChIInChI=1S/C14H23NO2/c1-14(2,3)15-10-5-11-17-13-8-6-12(16-4)7-9-13/h6-9,15H,5,10-11H2,1-4H3/p+1
InChIKeyPEVMDYDODJHPIR-UHFFFAOYSA-O
MW238.35 g/mol
LogP1.83
Rot. Bonds6

About tert-butyl-[3-(4-methoxyphenoxy)propyl]azanium

tert-butyl-[3-(4-methoxyphenoxy)propyl]azanium (PubChem CID 2249420) has the molecular formula C14H24NO2+ and a molecular weight of 238.35 g/mol. Its IUPAC name is tert-butyl-[3-(4-methoxyphenoxy)propyl]azanium.

Molecular Properties

Compound Nametert-butyl-[3-(4-methoxyphenoxy)propyl]azanium
PubChem CID2249420
Molecular FormulaC14H24NO2+
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Nametert-butyl-[3-(4-methoxyphenoxy)propyl]azanium
SMILESCOc1ccc(OCCC[NH2+]C(C)(C)C)cc1
InChIInChI=1S/C14H23NO2/c1-14(2,3)15-10-5-11-17-13-8-6-12(16-4)7-9-13/h6-9,15H,5,10-11H2,1-4H3/p+1
InChIKeyPEVMDYDODJHPIR-UHFFFAOYSA-O
XLogP1.83
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 51.83
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

tert-butyl-[2-(4-tert-butylphenoxy)ethyl]azanium
CID 2262208
tert-butyl-[4-(4-methoxyphenoxy)but-2-ynyl]azanium
CID 2194762
ethane;1-methoxy-4-(3-methoxypropoxy)benzene
CID 143283206
ethane;1-methoxy-4-(4-methoxybutoxy)benzene
CID 143283261
4-(4-methoxyphenoxy)-2-methylbutan-2-ol
CID 79361726
1-methoxy-4-tetradecoxybenzene
CID 91712423
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
1-(2-chloroethoxy)-4-methoxybenzene
CID 10081150
8-(4-methoxyphenoxy)octan-1-amine
CID 90318886
1-(20-bromoicosoxy)-4-methoxybenzene
CID 15444591
1-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-methylpropan-2-ol
CID 78927381
2-(4-methoxyphenoxy)ethyl-trimethylazanium
CID 3026734

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-(4-methoxyphenoxy)propyl]azanium?
The IUPAC name of tert-butyl-[3-(4-methoxyphenoxy)propyl]azanium (CID 2249420) is tert-butyl-[3-(4-methoxyphenoxy)propyl]azanium.
What is the SMILES notation for tert-butyl-[3-(4-methoxyphenoxy)propyl]azanium?
The canonical SMILES for tert-butyl-[3-(4-methoxyphenoxy)propyl]azanium is COc1ccc(OCCC[NH2+]C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[3-(4-methoxyphenoxy)propyl]azanium?
The InChIKey is PEVMDYDODJHPIR-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H23NO2/c1-14(2,3)15-10-5-11-17-13-8-6-12(16-4)7-9-13/h6-9,15H,5,10-11H2,1-4H3/p+1.
What are the key properties of tert-butyl-[3-(4-methoxyphenoxy)propyl]azanium?
tert-butyl-[3-(4-methoxyphenoxy)propyl]azanium has a molecular weight of 238.35 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-(4-methoxyphenoxy)propyl]azanium is sourced from PubChem (CID 2249420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).