methyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium chloride

C17H22ClNO — CID 25314

IUPACmethyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium chloride
SMILESC[NH2+]CCOC(c1ccccc1)c1ccccc1C.[Cl-]
InChIInChI=1S/C17H21NO.ClH/c1-14-8-6-7-11-16(14)17(19-13-12-18-2)15-9-4-3-5-10-15;/h3-11,17-18H,12-13H2,1-2H3;1H
InChIKeyYAXWIYFUVISXRS-UHFFFAOYSA-N
MW291.82 g/mol
LogP-0.70
Rot. Bonds6

About methyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium chloride

methyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium chloride (PubChem CID 25314) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is methyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium chloride.

Molecular Properties

Compound Namemethyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium chloride
PubChem CID25314
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Namemethyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium chloride
SMILESC[NH2+]CCOC(c1ccccc1)c1ccccc1C.[Cl-]
InChIInChI=1S/C17H21NO.ClH/c1-14-8-6-7-11-16(14)17(19-13-12-18-2)15-9-4-3-5-10-15;/h3-11,17-18H,12-13H2,1-2H3;1H
InChIKeyYAXWIYFUVISXRS-UHFFFAOYSA-N
XLogP-0.70
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 5-0.70
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

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CID 3100
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Tofenacin
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2-(Diphenylmethoxy)ethylamine
CID 36060
Talopram Hydrochloride
CID 71176
Emetonium iodide
CID 80084
Moxastine
CID 19142
Ethanamine, N-methyl-2-((2-methylphenyl)phenylmethoxy)-, hydrochloride (1:1)
CID 23725051
1-[2-(Diphenylmethoxy)ethyl]piperazine
CID 648525

Frequently Asked Questions

What is the IUPAC name of methyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium chloride?
The IUPAC name of methyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium chloride (CID 25314) is methyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium chloride.
What is the SMILES notation for methyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium chloride?
The canonical SMILES for methyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium chloride is C[NH2+]CCOC(c1ccccc1)c1ccccc1C.[Cl-].
What is the InChIKey of methyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium chloride?
The InChIKey is YAXWIYFUVISXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO.ClH/c1-14-8-6-7-11-16(14)17(19-13-12-18-2)15-9-4-3-5-10-15;/h3-11,17-18H,12-13H2,1-2H3;1H.
What are the key properties of methyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium chloride?
methyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium chloride has a molecular weight of 291.82 g/mol, XLogP of -0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium chloride is sourced from PubChem (CID 25314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).