2-(1,3-benzodioxol-5-yl)ethyl-[(9-ethylcarbazol-3-yl)methyl]azanium

C24H25N2O2+ — CID 7026639

IUPAC2-(1,3-benzodioxol-5-yl)ethyl-[(9-ethylcarbazol-3-yl)methyl]azanium
SMILESCCn1c2ccccc2c2cc(C[NH2+]CCc3ccc4c(c3)OCO4)ccc21
InChIInChI=1S/C24H24N2O2/c1-2-26-21-6-4-3-5-19(21)20-13-18(7-9-22(20)26)15-25-12-11-17-8-10-23-24(14-17)28-16-27-23/h3-10,13-14,25H,2,11-12,15-16H2,1H3/p+1
InChIKeyCNLUJCLUKUPZOQ-UHFFFAOYSA-O
MW373.48 g/mol
LogP3.85
Rot. Bonds6

About 2-(1,3-benzodioxol-5-yl)ethyl-[(9-ethylcarbazol-3-yl)methyl]azanium

2-(1,3-benzodioxol-5-yl)ethyl-[(9-ethylcarbazol-3-yl)methyl]azanium (PubChem CID 7026639) has the molecular formula C24H25N2O2+ and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)ethyl-[(9-ethylcarbazol-3-yl)methyl]azanium.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)ethyl-[(9-ethylcarbazol-3-yl)methyl]azanium
PubChem CID7026639
Molecular FormulaC24H25N2O2+
Molecular Weight373.48 g/mol
Exact Mass373.19
IUPAC Name2-(1,3-benzodioxol-5-yl)ethyl-[(9-ethylcarbazol-3-yl)methyl]azanium
SMILESCCn1c2ccccc2c2cc(C[NH2+]CCc3ccc4c(c3)OCO4)ccc21
InChIInChI=1S/C24H24N2O2/c1-2-26-21-6-4-3-5-19(21)20-13-18(7-9-22(20)26)15-25-12-11-17-8-10-23-24(14-17)28-16-27-23/h3-10,13-14,25H,2,11-12,15-16H2,1H3/p+1
InChIKeyCNLUJCLUKUPZOQ-UHFFFAOYSA-O
XLogP3.85
TPSA40.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1,3-benzodioxol-5-yl)ethyl-[(9-ethylcarbazol-3-yl)methyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-benzodioxol-5-ylmethyl-[(9-ethylcarbazol-3-yl)methyl]azanium
CID 2165207
(9-ethylcarbazol-3-yl)methyl-[2-(4-fluorophenyl)ethyl]azanium
CID 2163692
N-(1,3-benzodioxol-5-ylmethyl)-1-(9-ethylcarbazol-3-yl)methanamine;hydrochloride
CID 17331042
(9-ethylcarbazol-3-yl)methyl-[(2-methoxyphenyl)methyl]azanium
CID 2250649
2-(1,3-benzodioxol-5-yl)ethyl-[(3-bromophenyl)methyl]azanium
CID 2053262
N-(1,3-benzodioxol-5-yl)-N-[(9-ethylcarbazol-3-yl)methyl]-3-phenylpropanamide
CID 22474557
2-(1,3-benzodioxol-5-yl)ethyl-(pyridin-3-ylmethyl)azanium
CID 6997529
3-(9-ethylcarbazol-3-yl)propan-1-ol
CID 117386651
9-ethyl-3-[3-(2-methylphenyl)propyl]carbazole
CID 159633776
N,N-bis[(9-ethylcarbazol-3-yl)methyl]ethanamine
CID 160567842
3-(1,3-benzodioxol-5-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide
CID 51277028
3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-ethyl-[1,2,4]triazino[5,6-b]indole
CID 7262779

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)ethyl-[(9-ethylcarbazol-3-yl)methyl]azanium?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)ethyl-[(9-ethylcarbazol-3-yl)methyl]azanium (CID 7026639) is 2-(1,3-benzodioxol-5-yl)ethyl-[(9-ethylcarbazol-3-yl)methyl]azanium.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)ethyl-[(9-ethylcarbazol-3-yl)methyl]azanium?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)ethyl-[(9-ethylcarbazol-3-yl)methyl]azanium is CCn1c2ccccc2c2cc(C[NH2+]CCc3ccc4c(c3)OCO4)ccc21.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)ethyl-[(9-ethylcarbazol-3-yl)methyl]azanium?
The InChIKey is CNLUJCLUKUPZOQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H24N2O2/c1-2-26-21-6-4-3-5-19(21)20-13-18(7-9-22(20)26)15-25-12-11-17-8-10-23-24(14-17)28-16-27-23/h3-10,13-14,25H,2,11-12,15-16H2,1H3/p+1.
What are the key properties of 2-(1,3-benzodioxol-5-yl)ethyl-[(9-ethylcarbazol-3-yl)methyl]azanium?
2-(1,3-benzodioxol-5-yl)ethyl-[(9-ethylcarbazol-3-yl)methyl]azanium has a molecular weight of 373.48 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)ethyl-[(9-ethylcarbazol-3-yl)methyl]azanium is sourced from PubChem (CID 7026639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).