ethyl-methyl-(13-phenyltridecyl)azanium chloride

C22H40ClN — CID 158524301

IUPACethyl-methyl-(13-phenyltridecyl)azanium chloride
SMILESCC[NH+](C)CCCCCCCCCCCCCc1ccccc1.[Cl-]
InChIInChI=1S/C22H39N.ClH/c1-3-23(2)21-17-12-10-8-6-4-5-7-9-11-14-18-22-19-15-13-16-20-22;/h13,15-16,19-20H,3-12,14,17-18,21H2,1-2H3;1H
InChIKeyHMPFKCVFPPCMQI-UHFFFAOYSA-N
MW354.02 g/mol
LogP2.06
Rot. Bonds15

About ethyl-methyl-(13-phenyltridecyl)azanium chloride

ethyl-methyl-(13-phenyltridecyl)azanium chloride (PubChem CID 158524301) has the molecular formula C22H40ClN and a molecular weight of 354.02 g/mol. Its IUPAC name is ethyl-methyl-(13-phenyltridecyl)azanium chloride.

Molecular Properties

Compound Nameethyl-methyl-(13-phenyltridecyl)azanium chloride
PubChem CID158524301
Molecular FormulaC22H40ClN
Molecular Weight354.02 g/mol
Exact Mass353.28
IUPAC Nameethyl-methyl-(13-phenyltridecyl)azanium chloride
SMILESCC[NH+](C)CCCCCCCCCCCCCc1ccccc1.[Cl-]
InChIInChI=1S/C22H39N.ClH/c1-3-23(2)21-17-12-10-8-6-4-5-7-9-11-14-18-22-19-15-13-16-20-22;/h13,15-16,19-20H,3-12,14,17-18,21H2,1-2H3;1H
InChIKeyHMPFKCVFPPCMQI-UHFFFAOYSA-N
XLogP2.06
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.02
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

dimethyl(9-phenylnonyl)azanium dichloride
CID 87468123
dimethyl(14-phenyltetradecyl)azanium chloride
CID 70621589
diethyl(18-phenyloctadecyl)azanium chloride
CID 70621392
diethyl(16-phenylhexadecyl)azanium chloride
CID 70621692
dimethyl(15-phenylpentadecyl)azanium;chloride;dihydrate
CID 70271665
dimethyl(19-phenylnonadecyl)azanium;chloride;hydrate
CID 70269048
octacosylbenzene
CID 14228596
octylbenzene
CID 16607
pentanonacontylbenzene
CID 165359347
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
4-phenylbutylbenzene
CID 141301927

Frequently Asked Questions

What is the IUPAC name of ethyl-methyl-(13-phenyltridecyl)azanium chloride?
The IUPAC name of ethyl-methyl-(13-phenyltridecyl)azanium chloride (CID 158524301) is ethyl-methyl-(13-phenyltridecyl)azanium chloride.
What is the SMILES notation for ethyl-methyl-(13-phenyltridecyl)azanium chloride?
The canonical SMILES for ethyl-methyl-(13-phenyltridecyl)azanium chloride is CC[NH+](C)CCCCCCCCCCCCCc1ccccc1.[Cl-].
What is the InChIKey of ethyl-methyl-(13-phenyltridecyl)azanium chloride?
The InChIKey is HMPFKCVFPPCMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N.ClH/c1-3-23(2)21-17-12-10-8-6-4-5-7-9-11-14-18-22-19-15-13-16-20-22;/h13,15-16,19-20H,3-12,14,17-18,21H2,1-2H3;1H.
What are the key properties of ethyl-methyl-(13-phenyltridecyl)azanium chloride?
ethyl-methyl-(13-phenyltridecyl)azanium chloride has a molecular weight of 354.02 g/mol, XLogP of 2.06, 15 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-methyl-(13-phenyltridecyl)azanium chloride is sourced from PubChem (CID 158524301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).