2-morpholin-4-ylethyl-[2-(2-phenyl-1H-indol-3-yl)ethyl]azanium

C22H28N3O+ — CID 59921053

IUPAC2-morpholin-4-ylethyl-[2-(2-phenyl-1H-indol-3-yl)ethyl]azanium
SMILESc1ccc(-c2[nH]c3ccccc3c2CC[NH2+]CCN2CCOCC2)cc1
InChIInChI=1S/C22H27N3O/c1-2-6-18(7-3-1)22-20(19-8-4-5-9-21(19)24-22)10-11-23-12-13-25-14-16-26-17-15-25/h1-9,23-24H,10-17H2/p+1
InChIKeyYNQGEKNOVLGGHQ-UHFFFAOYSA-O
MW350.49 g/mol
LogP2.27
Rot. Bonds7

About 2-morpholin-4-ylethyl-[2-(2-phenyl-1H-indol-3-yl)ethyl]azanium

2-morpholin-4-ylethyl-[2-(2-phenyl-1H-indol-3-yl)ethyl]azanium (PubChem CID 59921053) has the molecular formula C22H28N3O+ and a molecular weight of 350.49 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl-[2-(2-phenyl-1H-indol-3-yl)ethyl]azanium.

Molecular Properties

Compound Name2-morpholin-4-ylethyl-[2-(2-phenyl-1H-indol-3-yl)ethyl]azanium
PubChem CID59921053
Molecular FormulaC22H28N3O+
Molecular Weight350.49 g/mol
Exact Mass350.22
IUPAC Name2-morpholin-4-ylethyl-[2-(2-phenyl-1H-indol-3-yl)ethyl]azanium
SMILESc1ccc(-c2[nH]c3ccccc3c2CC[NH2+]CCN2CCOCC2)cc1
InChIInChI=1S/C22H27N3O/c1-2-6-18(7-3-1)22-20(19-8-4-5-9-21(19)24-22)10-11-23-12-13-25-14-16-26-17-15-25/h1-9,23-24H,10-17H2/p+1
InChIKeyYNQGEKNOVLGGHQ-UHFFFAOYSA-O
XLogP2.27
TPSA44.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2-methyl-1H-indol-3-yl)propyl]morpholine
CID 170870878
4-[[4-(morpholin-4-ylmethyl)-2,5-diphenyl-1H-pyrrol-3-yl]methyl]morpholine;dihydrochloride
CID 44783870
2-(2-phenyl-1H-indol-3-yl)ethylazanium chloride
CID 69323264
3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole
CID 59920990
2-(3-fluorophenyl)-3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 59920997
3-[(2-morpholin-4-ylethylamino)methyl]-4-oxo-1H-quinoline-2-carboxylic acid;hydrochloride
CID 161498572
3-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole
CID 3054786
4-[2-(2-phenyl-1H-benzimidazol-4-yl)ethyl]morpholine
CID 22368455
1-[4-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55452065
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 112798004
9H-carbazole;4-methylmorpholine
CID 175233361
N,N-dimethyl-4-[3-(2-morpholin-4-ylethyl)-1H-indol-2-yl]-1-phenylcyclohexan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 24952949

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl-[2-(2-phenyl-1H-indol-3-yl)ethyl]azanium?
The IUPAC name of 2-morpholin-4-ylethyl-[2-(2-phenyl-1H-indol-3-yl)ethyl]azanium (CID 59921053) is 2-morpholin-4-ylethyl-[2-(2-phenyl-1H-indol-3-yl)ethyl]azanium.
What is the SMILES notation for 2-morpholin-4-ylethyl-[2-(2-phenyl-1H-indol-3-yl)ethyl]azanium?
The canonical SMILES for 2-morpholin-4-ylethyl-[2-(2-phenyl-1H-indol-3-yl)ethyl]azanium is c1ccc(-c2[nH]c3ccccc3c2CC[NH2+]CCN2CCOCC2)cc1.
What is the InChIKey of 2-morpholin-4-ylethyl-[2-(2-phenyl-1H-indol-3-yl)ethyl]azanium?
The InChIKey is YNQGEKNOVLGGHQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H27N3O/c1-2-6-18(7-3-1)22-20(19-8-4-5-9-21(19)24-22)10-11-23-12-13-25-14-16-26-17-15-25/h1-9,23-24H,10-17H2/p+1.
What are the key properties of 2-morpholin-4-ylethyl-[2-(2-phenyl-1H-indol-3-yl)ethyl]azanium?
2-morpholin-4-ylethyl-[2-(2-phenyl-1H-indol-3-yl)ethyl]azanium has a molecular weight of 350.49 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl-[2-(2-phenyl-1H-indol-3-yl)ethyl]azanium is sourced from PubChem (CID 59921053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).