benzyl-[(5-methylfuran-2-yl)methyl]-(2-phenylethyl)azanium

C21H24NO+ — CID 7318686

IUPACbenzyl-[(5-methylfuran-2-yl)methyl]-(2-phenylethyl)azanium
SMILESCc1ccc(C[NH+](CCc2ccccc2)Cc2ccccc2)o1
InChIInChI=1S/C21H23NO/c1-18-12-13-21(23-18)17-22(16-20-10-6-3-7-11-20)15-14-19-8-4-2-5-9-19/h2-13H,14-17H2,1H3/p+1
InChIKeyJCASRINAHJPSDP-UHFFFAOYSA-O
MW306.43 g/mol
LogP3.42
Rot. Bonds7

About benzyl-[(5-methylfuran-2-yl)methyl]-(2-phenylethyl)azanium

benzyl-[(5-methylfuran-2-yl)methyl]-(2-phenylethyl)azanium (PubChem CID 7318686) has the molecular formula C21H24NO+ and a molecular weight of 306.43 g/mol. Its IUPAC name is benzyl-[(5-methylfuran-2-yl)methyl]-(2-phenylethyl)azanium.

Molecular Properties

Compound Namebenzyl-[(5-methylfuran-2-yl)methyl]-(2-phenylethyl)azanium
PubChem CID7318686
Molecular FormulaC21H24NO+
Molecular Weight306.43 g/mol
Exact Mass306.19
IUPAC Namebenzyl-[(5-methylfuran-2-yl)methyl]-(2-phenylethyl)azanium
SMILESCc1ccc(C[NH+](CCc2ccccc2)Cc2ccccc2)o1
InChIInChI=1S/C21H23NO/c1-18-12-13-21(23-18)17-22(16-20-10-6-3-7-11-20)15-14-19-8-4-2-5-9-19/h2-13H,14-17H2,1H3/p+1
InChIKeyJCASRINAHJPSDP-UHFFFAOYSA-O
XLogP3.42
TPSA17.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

bis[(5-methylfuran-2-yl)methyl]-propylazanium
CID 7323737
2-(3,4-dimethoxyphenyl)ethyl-bis[(5-methylfuran-2-yl)methyl]azanium
CID 7323736
benzyl-[2-(dimethylazaniumyl)ethyl]-[(4,5-dimethylfuran-2-yl)methyl]azanium
CID 171442393
benzyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-(2-phenylethyl)azanium
CID 7444512
(2S)-N-[(5-methylfuran-2-yl)methyl]-4-phenylbutan-2-amine
CID 40725603
N-[(5-methylfuran-2-yl)methyl]-2-phenylethanesulfonamide
CID 110731727
1-(5-methylfuran-2-yl)-3-phenylpropan-1-one
CID 71336730
benzyl-[(4-methoxynaphthalen-1-yl)methyl]-(2-phenylethyl)azanium
CID 2244865
(2S)-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-2-amine
CID 781905
dimethyl(2-phenylethyl)azanium iodide
CID 172779619
(4aS,7aR)-4-[(5-methylfuran-2-yl)methyl]-1-(2-phenylethyl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70713930
N'-benzyl-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 171442310

Frequently Asked Questions

What is the IUPAC name of benzyl-[(5-methylfuran-2-yl)methyl]-(2-phenylethyl)azanium?
The IUPAC name of benzyl-[(5-methylfuran-2-yl)methyl]-(2-phenylethyl)azanium (CID 7318686) is benzyl-[(5-methylfuran-2-yl)methyl]-(2-phenylethyl)azanium.
What is the SMILES notation for benzyl-[(5-methylfuran-2-yl)methyl]-(2-phenylethyl)azanium?
The canonical SMILES for benzyl-[(5-methylfuran-2-yl)methyl]-(2-phenylethyl)azanium is Cc1ccc(C[NH+](CCc2ccccc2)Cc2ccccc2)o1.
What is the InChIKey of benzyl-[(5-methylfuran-2-yl)methyl]-(2-phenylethyl)azanium?
The InChIKey is JCASRINAHJPSDP-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H23NO/c1-18-12-13-21(23-18)17-22(16-20-10-6-3-7-11-20)15-14-19-8-4-2-5-9-19/h2-13H,14-17H2,1H3/p+1.
What are the key properties of benzyl-[(5-methylfuran-2-yl)methyl]-(2-phenylethyl)azanium?
benzyl-[(5-methylfuran-2-yl)methyl]-(2-phenylethyl)azanium has a molecular weight of 306.43 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(5-methylfuran-2-yl)methyl]-(2-phenylethyl)azanium is sourced from PubChem (CID 7318686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).