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

C23H23N2O2+ — CID 2165207

IUPAC1,3-benzodioxol-5-ylmethyl-[(9-ethylcarbazol-3-yl)methyl]azanium
SMILESCCn1c2ccccc2c2cc(C[NH2+]Cc3ccc4c(c3)OCO4)ccc21
InChIInChI=1S/C23H22N2O2/c1-2-25-20-6-4-3-5-18(20)19-11-16(7-9-21(19)25)13-24-14-17-8-10-22-23(12-17)27-15-26-22/h3-12,24H,2,13-15H2,1H3/p+1
InChIKeyYTSINFAHHBQRPJ-UHFFFAOYSA-O
MW359.45 g/mol
LogP3.81
Rot. Bonds5

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

1,3-benzodioxol-5-ylmethyl-[(9-ethylcarbazol-3-yl)methyl]azanium (PubChem CID 2165207) has the molecular formula C23H23N2O2+ and a molecular weight of 359.45 g/mol. Its IUPAC name is 1,3-benzodioxol-5-ylmethyl-[(9-ethylcarbazol-3-yl)methyl]azanium.

Molecular Properties

Compound Name1,3-benzodioxol-5-ylmethyl-[(9-ethylcarbazol-3-yl)methyl]azanium
PubChem CID2165207
Molecular FormulaC23H23N2O2+
Molecular Weight359.45 g/mol
Exact Mass359.18
IUPAC Name1,3-benzodioxol-5-ylmethyl-[(9-ethylcarbazol-3-yl)methyl]azanium
SMILESCCn1c2ccccc2c2cc(C[NH2+]Cc3ccc4c(c3)OCO4)ccc21
InChIInChI=1S/C23H22N2O2/c1-2-25-20-6-4-3-5-18(20)19-11-16(7-9-21(19)25)13-24-14-17-8-10-22-23(12-17)27-15-26-22/h3-12,24H,2,13-15H2,1H3/p+1
InChIKeyYTSINFAHHBQRPJ-UHFFFAOYSA-O
XLogP3.81
TPSA40.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-benzodioxol-5-yl)ethyl-[(9-ethylcarbazol-3-yl)methyl]azanium
CID 7026639
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
(9-ethylcarbazol-3-yl)methyl-[2-(4-fluorophenyl)ethyl]azanium
CID 2163692
N-(1,3-benzodioxol-5-yl)-N-[(9-ethylcarbazol-3-yl)methyl]-3-phenylpropanamide
CID 22474557
N,N-bis[(9-ethylcarbazol-3-yl)methyl]ethanamine
CID 160567842
3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-ethyl-[1,2,4]triazino[5,6-b]indole
CID 7262779
4-(1,3-benzodioxol-5-ylmethylamino)-1-ethyl-3-nitroquinolin-2-one
CID 4585680
9-ethyl-3-(piperazin-1-ylmethyl)carbazole;hydrochloride
CID 156592203
9-ethyl-3-(piperazin-1-ylmethyl)carbazole;dihydrochloride
CID 75531489
1-(9-ethylcarbazol-3-yl)propan-2-ol
CID 117386647
3-(9-ethylcarbazol-3-yl)propan-1-ol
CID 117386651

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-ylmethyl-[(9-ethylcarbazol-3-yl)methyl]azanium?
The IUPAC name of 1,3-benzodioxol-5-ylmethyl-[(9-ethylcarbazol-3-yl)methyl]azanium (CID 2165207) is 1,3-benzodioxol-5-ylmethyl-[(9-ethylcarbazol-3-yl)methyl]azanium.
What is the SMILES notation for 1,3-benzodioxol-5-ylmethyl-[(9-ethylcarbazol-3-yl)methyl]azanium?
The canonical SMILES for 1,3-benzodioxol-5-ylmethyl-[(9-ethylcarbazol-3-yl)methyl]azanium is CCn1c2ccccc2c2cc(C[NH2+]Cc3ccc4c(c3)OCO4)ccc21.
What is the InChIKey of 1,3-benzodioxol-5-ylmethyl-[(9-ethylcarbazol-3-yl)methyl]azanium?
The InChIKey is YTSINFAHHBQRPJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H22N2O2/c1-2-25-20-6-4-3-5-18(20)19-11-16(7-9-21(19)25)13-24-14-17-8-10-22-23(12-17)27-15-26-22/h3-12,24H,2,13-15H2,1H3/p+1.
What are the key properties of 1,3-benzodioxol-5-ylmethyl-[(9-ethylcarbazol-3-yl)methyl]azanium?
1,3-benzodioxol-5-ylmethyl-[(9-ethylcarbazol-3-yl)methyl]azanium has a molecular weight of 359.45 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-ylmethyl-[(9-ethylcarbazol-3-yl)methyl]azanium is sourced from PubChem (CID 2165207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).