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

C15H18NO2+ — CID 2199745

IUPACmethyl-[2-(3-phenoxyphenoxy)ethyl]azanium
SMILESC[NH2+]CCOc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H17NO2/c1-16-10-11-17-14-8-5-9-15(12-14)18-13-6-3-2-4-7-13/h2-9,12,16H,10-11H2,1H3/p+1
InChIKeyZHFCBQAHNGTIAW-UHFFFAOYSA-O
MW244.31 g/mol
LogP2.05
Rot. Bonds6

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

methyl-[2-(3-phenoxyphenoxy)ethyl]azanium (PubChem CID 2199745) has the molecular formula C15H18NO2+ and a molecular weight of 244.31 g/mol. Its IUPAC name is methyl-[2-(3-phenoxyphenoxy)ethyl]azanium.

Molecular Properties

Compound Namemethyl-[2-(3-phenoxyphenoxy)ethyl]azanium
PubChem CID2199745
Molecular FormulaC15H18NO2+
Molecular Weight244.31 g/mol
Exact Mass244.13
IUPAC Namemethyl-[2-(3-phenoxyphenoxy)ethyl]azanium
SMILESC[NH2+]CCOc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H17NO2/c1-16-10-11-17-14-8-5-9-15(12-14)18-13-6-3-2-4-7-13/h2-9,12,16H,10-11H2,1H3/p+1
InChIKeyZHFCBQAHNGTIAW-UHFFFAOYSA-O
XLogP2.05
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 52.05
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-methylphenoxy)ethyl]azanium
CID 7131761
1-(2-bromoethoxy)-3-phenoxybenzene
CID 86227563
diethyl-[4-(3-phenoxyphenoxy)butyl]azanium
CID 2232638
methyl-[3-(3-propan-2-yloxyphenoxy)propyl]azanium
CID 2198980
N-[2-(3-phenoxyphenoxy)ethyl]butan-2-amine
CID 63516697
1-ethyl-4-[2-(3-phenoxyphenoxy)ethyl]piperazine-1,4-diium
CID 7484402
trifluoro-[(3-phenoxyphenoxy)methyl]boranuide
CID 63702596
N-[2-(3-phenoxyphenoxy)ethyl]cyclopropanamine
CID 62597379
1-amino-3-(3-phenoxyphenoxy)propan-2-ol
CID 18593122
1,3-bis(4-methoxyphenoxy)benzene
CID 629519
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
(2S,6S)-2,6-dimethyl-4-[2-(3-phenoxyphenoxy)ethyl]morpholine
CID 887587

Frequently Asked Questions

What is the IUPAC name of methyl-[2-(3-phenoxyphenoxy)ethyl]azanium?
The IUPAC name of methyl-[2-(3-phenoxyphenoxy)ethyl]azanium (CID 2199745) is methyl-[2-(3-phenoxyphenoxy)ethyl]azanium.
What is the SMILES notation for methyl-[2-(3-phenoxyphenoxy)ethyl]azanium?
The canonical SMILES for methyl-[2-(3-phenoxyphenoxy)ethyl]azanium is C[NH2+]CCOc1cccc(Oc2ccccc2)c1.
What is the InChIKey of methyl-[2-(3-phenoxyphenoxy)ethyl]azanium?
The InChIKey is ZHFCBQAHNGTIAW-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H17NO2/c1-16-10-11-17-14-8-5-9-15(12-14)18-13-6-3-2-4-7-13/h2-9,12,16H,10-11H2,1H3/p+1.
What are the key properties of methyl-[2-(3-phenoxyphenoxy)ethyl]azanium?
methyl-[2-(3-phenoxyphenoxy)ethyl]azanium has a molecular weight of 244.31 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-(3-phenoxyphenoxy)ethyl]azanium is sourced from PubChem (CID 2199745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).