dimethyl-[2-[2-methyl-1-(2-methylphenyl)cyclohexyl]oxyethyl]azanium chloride

C18H30ClNO — CID 25848

IUPACdimethyl-[2-[2-methyl-1-(2-methylphenyl)cyclohexyl]oxyethyl]azanium chloride
SMILESCc1ccccc1C1(OCC[NH+](C)C)CCCCC1C.[Cl-]
InChIInChI=1S/C18H29NO.ClH/c1-15-9-5-6-11-17(15)18(20-14-13-19(3)4)12-8-7-10-16(18)2;/h5-6,9,11,16H,7-8,10,12-14H2,1-4H3;1H
InChIKeyVJEJFMGONDRQPY-UHFFFAOYSA-N
MW311.90 g/mol
LogP-0.43
Rot. Bonds5

About dimethyl-[2-[2-methyl-1-(2-methylphenyl)cyclohexyl]oxyethyl]azanium chloride

dimethyl-[2-[2-methyl-1-(2-methylphenyl)cyclohexyl]oxyethyl]azanium chloride (PubChem CID 25848) has the molecular formula C18H30ClNO and a molecular weight of 311.90 g/mol. Its IUPAC name is dimethyl-[2-[2-methyl-1-(2-methylphenyl)cyclohexyl]oxyethyl]azanium chloride.

Molecular Properties

Compound Namedimethyl-[2-[2-methyl-1-(2-methylphenyl)cyclohexyl]oxyethyl]azanium chloride
PubChem CID25848
Molecular FormulaC18H30ClNO
Molecular Weight311.90 g/mol
Exact Mass311.20
IUPAC Namedimethyl-[2-[2-methyl-1-(2-methylphenyl)cyclohexyl]oxyethyl]azanium chloride
SMILESCc1ccccc1C1(OCC[NH+](C)C)CCCCC1C.[Cl-]
InChIInChI=1S/C18H29NO.ClH/c1-15-9-5-6-11-17(15)18(20-14-13-19(3)4)12-8-7-10-16(18)2;/h5-6,9,11,16H,7-8,10,12-14H2,1-4H3;1H
InChIKeyVJEJFMGONDRQPY-UHFFFAOYSA-N
XLogP-0.43
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.90
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Emetonium iodide
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Moxastine
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Ethanamine, N-methyl-2-((2-methylphenyl)phenylmethoxy)-, hydrochloride (1:1)
CID 23725051
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Ethylbenzhydramine
CID 12552
Bibenzonium Bromide
CID 85001
N-Desmethyldiphenhydramine
CID 40791

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[2-methyl-1-(2-methylphenyl)cyclohexyl]oxyethyl]azanium chloride?
The IUPAC name of dimethyl-[2-[2-methyl-1-(2-methylphenyl)cyclohexyl]oxyethyl]azanium chloride (CID 25848) is dimethyl-[2-[2-methyl-1-(2-methylphenyl)cyclohexyl]oxyethyl]azanium chloride.
What is the SMILES notation for dimethyl-[2-[2-methyl-1-(2-methylphenyl)cyclohexyl]oxyethyl]azanium chloride?
The canonical SMILES for dimethyl-[2-[2-methyl-1-(2-methylphenyl)cyclohexyl]oxyethyl]azanium chloride is Cc1ccccc1C1(OCC[NH+](C)C)CCCCC1C.[Cl-].
What is the InChIKey of dimethyl-[2-[2-methyl-1-(2-methylphenyl)cyclohexyl]oxyethyl]azanium chloride?
The InChIKey is VJEJFMGONDRQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO.ClH/c1-15-9-5-6-11-17(15)18(20-14-13-19(3)4)12-8-7-10-16(18)2;/h5-6,9,11,16H,7-8,10,12-14H2,1-4H3;1H.
What are the key properties of dimethyl-[2-[2-methyl-1-(2-methylphenyl)cyclohexyl]oxyethyl]azanium chloride?
dimethyl-[2-[2-methyl-1-(2-methylphenyl)cyclohexyl]oxyethyl]azanium chloride has a molecular weight of 311.90 g/mol, XLogP of -0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[2-methyl-1-(2-methylphenyl)cyclohexyl]oxyethyl]azanium chloride is sourced from PubChem (CID 25848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).