methyl-[3-(3-propan-2-yloxyphenoxy)propyl]azanium

C13H22NO2+ — CID 2198980

IUPACmethyl-[3-(3-propan-2-yloxyphenoxy)propyl]azanium
SMILESC[NH2+]CCCOc1cccc(OC(C)C)c1
InChIInChI=1S/C13H21NO2/c1-11(2)16-13-7-4-6-12(10-13)15-9-5-8-14-3/h4,6-7,10-11,14H,5,8-9H2,1-3H3/p+1
InChIKeyFOGDQAOHTOYVSF-UHFFFAOYSA-O
MW224.32 g/mol
LogP1.44
Rot. Bonds7

About methyl-[3-(3-propan-2-yloxyphenoxy)propyl]azanium

methyl-[3-(3-propan-2-yloxyphenoxy)propyl]azanium (PubChem CID 2198980) has the molecular formula C13H22NO2+ and a molecular weight of 224.32 g/mol. Its IUPAC name is methyl-[3-(3-propan-2-yloxyphenoxy)propyl]azanium.

Molecular Properties

Compound Namemethyl-[3-(3-propan-2-yloxyphenoxy)propyl]azanium
PubChem CID2198980
Molecular FormulaC13H22NO2+
Molecular Weight224.32 g/mol
Exact Mass224.16
IUPAC Namemethyl-[3-(3-propan-2-yloxyphenoxy)propyl]azanium
SMILESC[NH2+]CCCOc1cccc(OC(C)C)c1
InChIInChI=1S/C13H21NO2/c1-11(2)16-13-7-4-6-12(10-13)15-9-5-8-14-3/h4,6-7,10-11,14H,5,8-9H2,1-3H3/p+1
InChIKeyFOGDQAOHTOYVSF-UHFFFAOYSA-O
XLogP1.44
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 51.44
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

methyl-[2-(3-phenoxyphenoxy)ethyl]azanium
CID 2199745
methyl-[2-(3-methylphenoxy)ethyl]azanium
CID 7131761
2-(3-methoxyphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 86854917
N-(3-hexoxyphenyl)-N'-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808523
methyl(4-naphthalen-2-yloxybutyl)azanium
CID 7454605
(2S,6S)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholin-4-ium
CID 7379892
(2R,6R)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholine
CID 7379895
(2R,6S)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholin-4-ium
CID 7379890
N-[2-(4-methoxyphenoxy)ethyl]-3-propan-2-yloxyaniline
CID 54802827
N-[2-(3-methylphenoxy)ethyl]-3-propan-2-yloxyaniline
CID 54802915
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
[(2S)-butan-2-yl]-[3-(3-ethylphenoxy)propyl]azanium
CID 2184599

Frequently Asked Questions

What is the IUPAC name of methyl-[3-(3-propan-2-yloxyphenoxy)propyl]azanium?
The IUPAC name of methyl-[3-(3-propan-2-yloxyphenoxy)propyl]azanium (CID 2198980) is methyl-[3-(3-propan-2-yloxyphenoxy)propyl]azanium.
What is the SMILES notation for methyl-[3-(3-propan-2-yloxyphenoxy)propyl]azanium?
The canonical SMILES for methyl-[3-(3-propan-2-yloxyphenoxy)propyl]azanium is C[NH2+]CCCOc1cccc(OC(C)C)c1.
What is the InChIKey of methyl-[3-(3-propan-2-yloxyphenoxy)propyl]azanium?
The InChIKey is FOGDQAOHTOYVSF-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H21NO2/c1-11(2)16-13-7-4-6-12(10-13)15-9-5-8-14-3/h4,6-7,10-11,14H,5,8-9H2,1-3H3/p+1.
What are the key properties of methyl-[3-(3-propan-2-yloxyphenoxy)propyl]azanium?
methyl-[3-(3-propan-2-yloxyphenoxy)propyl]azanium has a molecular weight of 224.32 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[3-(3-propan-2-yloxyphenoxy)propyl]azanium is sourced from PubChem (CID 2198980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).