benzyl-[(4-ethylphenyl)methyl]azanium

C16H20N+ — CID 7994180

IUPACbenzyl-[(4-ethylphenyl)methyl]azanium
SMILESCCc1ccc(C[NH2+]Cc2ccccc2)cc1
InChIInChI=1S/C16H19N/c1-2-14-8-10-16(11-9-14)13-17-12-15-6-4-3-5-7-15/h3-11,17H,2,12-13H2,1H3/p+1
InChIKeyIDMJOJBXQPHZFC-UHFFFAOYSA-O
MW226.34 g/mol
LogP2.51
Rot. Bonds5

About benzyl-[(4-ethylphenyl)methyl]azanium

benzyl-[(4-ethylphenyl)methyl]azanium (PubChem CID 7994180) has the molecular formula C16H20N+ and a molecular weight of 226.34 g/mol. Its IUPAC name is benzyl-[(4-ethylphenyl)methyl]azanium.

Molecular Properties

Compound Namebenzyl-[(4-ethylphenyl)methyl]azanium
PubChem CID7994180
Molecular FormulaC16H20N+
Molecular Weight226.34 g/mol
Exact Mass226.16
IUPAC Namebenzyl-[(4-ethylphenyl)methyl]azanium
SMILESCCc1ccc(C[NH2+]Cc2ccccc2)cc1
InChIInChI=1S/C16H19N/c1-2-14-8-10-16(11-9-14)13-17-12-15-6-4-3-5-7-15/h3-11,17H,2,12-13H2,1H3/p+1
InChIKeyIDMJOJBXQPHZFC-UHFFFAOYSA-O
XLogP2.51
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

dibenzylazanium iodide
CID 15533239
ethylcyclodecapentaene
CID 90861705
sulfanium ethylbenzene
CID 22726309
ethane;ethylbenzene
CID 90887003
ethylbenzene;molybdenum
CID 161189179
ethylbenzene;propane;hydroiodide
CID 142182216
ethane;ethylbenzene;propane
CID 91199618
1-benzyl-4-ethylbenzene;methane
CID 144571765
benzyl-[[4-[3,5-bis[4-[(benzylazaniumyl)methyl]phenyl]phenyl]phenyl]methyl]azanium
CID 101337215
bicyclo[2.2.0]hexa-1,3,5-triene;ethylbenzene
CID 175075360
ethylbenzene;N-methylmethanamine
CID 19063869
acetylene;ethylbenzene;propane
CID 143490350

Frequently Asked Questions

What is the IUPAC name of benzyl-[(4-ethylphenyl)methyl]azanium?
The IUPAC name of benzyl-[(4-ethylphenyl)methyl]azanium (CID 7994180) is benzyl-[(4-ethylphenyl)methyl]azanium.
What is the SMILES notation for benzyl-[(4-ethylphenyl)methyl]azanium?
The canonical SMILES for benzyl-[(4-ethylphenyl)methyl]azanium is CCc1ccc(C[NH2+]Cc2ccccc2)cc1.
What is the InChIKey of benzyl-[(4-ethylphenyl)methyl]azanium?
The InChIKey is IDMJOJBXQPHZFC-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H19N/c1-2-14-8-10-16(11-9-14)13-17-12-15-6-4-3-5-7-15/h3-11,17H,2,12-13H2,1H3/p+1.
What are the key properties of benzyl-[(4-ethylphenyl)methyl]azanium?
benzyl-[(4-ethylphenyl)methyl]azanium has a molecular weight of 226.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(4-ethylphenyl)methyl]azanium is sourced from PubChem (CID 7994180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).