2-(1H-indol-3-yl)ethyl-(4-phenylcyclohexyl)azanium

C22H27N2+ — CID 6983297

IUPAC2-(1H-indol-3-yl)ethyl-(4-phenylcyclohexyl)azanium
SMILESc1ccc(C2CCC([NH2+]CCc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C22H26N2/c1-2-6-17(7-3-1)18-10-12-20(13-11-18)23-15-14-19-16-24-22-9-5-4-8-21(19)22/h1-9,16,18,20,23-24H,10-15H2/p+1
InChIKeyVIRZUORMYSIWLM-UHFFFAOYSA-O
MW319.47 g/mol
LogP4.00
Rot. Bonds5

About 2-(1H-indol-3-yl)ethyl-(4-phenylcyclohexyl)azanium

2-(1H-indol-3-yl)ethyl-(4-phenylcyclohexyl)azanium (PubChem CID 6983297) has the molecular formula C22H27N2+ and a molecular weight of 319.47 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)ethyl-(4-phenylcyclohexyl)azanium.

Molecular Properties

Compound Name2-(1H-indol-3-yl)ethyl-(4-phenylcyclohexyl)azanium
PubChem CID6983297
Molecular FormulaC22H27N2+
Molecular Weight319.47 g/mol
Exact Mass319.22
IUPAC Name2-(1H-indol-3-yl)ethyl-(4-phenylcyclohexyl)azanium
SMILESc1ccc(C2CCC([NH2+]CCc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C22H26N2/c1-2-6-17(7-3-1)18-10-12-20(13-11-18)23-15-14-19-16-24-22-9-5-4-8-21(19)22/h1-9,16,18,20,23-24H,10-15H2/p+1
InChIKeyVIRZUORMYSIWLM-UHFFFAOYSA-O
XLogP4.00
TPSA32.40 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

cyclooctyl-[2-(1H-indol-3-yl)ethyl]azanium
CID 6935303
N-[2-(1H-indol-3-yl)ethyl]-4-phenylcyclohexan-1-amine
CID 1378371
2-(1H-indol-3-yl)ethyl-[(1R,3R)-3-methylcyclohexyl]azanium
CID 7445932
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
N-[2-(1H-indol-3-yl)ethyl]-3-phenylpropan-1-imine
CID 10826340
3-(1H-indol-3-yl)propylazanium chloride
CID 28988
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
methane;3-[1-[(4-phenylpiperidin-1-yl)methyl]piperidin-4-yl]-1H-indole
CID 160789149
2-(1H-indol-3-yl)ethyl-(pyridin-4-ylmethyl)azanium chloride
CID 44665134
(2E)-2-[2-(dimethylamino)-4-phenylcyclohexylidene]-N-[2-(1H-indol-3-yl)ethyl]acetamide;hydrochloride
CID 67386596
benzene;cyclopropylbenzene
CID 144638417
[(3R)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(1H-indol-3-yl)ethyl]azanium
CID 7647708

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)ethyl-(4-phenylcyclohexyl)azanium?
The IUPAC name of 2-(1H-indol-3-yl)ethyl-(4-phenylcyclohexyl)azanium (CID 6983297) is 2-(1H-indol-3-yl)ethyl-(4-phenylcyclohexyl)azanium.
What is the SMILES notation for 2-(1H-indol-3-yl)ethyl-(4-phenylcyclohexyl)azanium?
The canonical SMILES for 2-(1H-indol-3-yl)ethyl-(4-phenylcyclohexyl)azanium is c1ccc(C2CCC([NH2+]CCc3c[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of 2-(1H-indol-3-yl)ethyl-(4-phenylcyclohexyl)azanium?
The InChIKey is VIRZUORMYSIWLM-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H26N2/c1-2-6-17(7-3-1)18-10-12-20(13-11-18)23-15-14-19-16-24-22-9-5-4-8-21(19)22/h1-9,16,18,20,23-24H,10-15H2/p+1.
What are the key properties of 2-(1H-indol-3-yl)ethyl-(4-phenylcyclohexyl)azanium?
2-(1H-indol-3-yl)ethyl-(4-phenylcyclohexyl)azanium has a molecular weight of 319.47 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)ethyl-(4-phenylcyclohexyl)azanium is sourced from PubChem (CID 6983297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).