(9-ethylcarbazol-3-yl)methyl-[2-(4-fluorophenyl)ethyl]azanium

C23H24FN2+ — CID 2163692

IUPAC(9-ethylcarbazol-3-yl)methyl-[2-(4-fluorophenyl)ethyl]azanium
SMILESCCn1c2ccccc2c2cc(C[NH2+]CCc3ccc(F)cc3)ccc21
InChIInChI=1S/C23H23FN2/c1-2-26-22-6-4-3-5-20(22)21-15-18(9-12-23(21)26)16-25-14-13-17-7-10-19(24)11-8-17/h3-12,15,25H,2,13-14,16H2,1H3/p+1
InChIKeyLXGDCUZYFQEJGW-UHFFFAOYSA-O
MW347.46 g/mol
LogP4.26
Rot. Bonds6

About (9-ethylcarbazol-3-yl)methyl-[2-(4-fluorophenyl)ethyl]azanium

(9-ethylcarbazol-3-yl)methyl-[2-(4-fluorophenyl)ethyl]azanium (PubChem CID 2163692) has the molecular formula C23H24FN2+ and a molecular weight of 347.46 g/mol. Its IUPAC name is (9-ethylcarbazol-3-yl)methyl-[2-(4-fluorophenyl)ethyl]azanium.

Molecular Properties

Compound Name(9-ethylcarbazol-3-yl)methyl-[2-(4-fluorophenyl)ethyl]azanium
PubChem CID2163692
Molecular FormulaC23H24FN2+
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name(9-ethylcarbazol-3-yl)methyl-[2-(4-fluorophenyl)ethyl]azanium
SMILESCCn1c2ccccc2c2cc(C[NH2+]CCc3ccc(F)cc3)ccc21
InChIInChI=1S/C23H23FN2/c1-2-26-22-6-4-3-5-20(22)21-15-18(9-12-23(21)26)16-25-14-13-17-7-10-19(24)11-8-17/h3-12,15,25H,2,13-14,16H2,1H3/p+1
InChIKeyLXGDCUZYFQEJGW-UHFFFAOYSA-O
XLogP4.26
TPSA21.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-benzodioxol-5-yl)ethyl-[(9-ethylcarbazol-3-yl)methyl]azanium
CID 7026639
(9-ethylcarbazol-3-yl)methyl-[(2-methoxyphenyl)methyl]azanium
CID 2250649
1,3-benzodioxol-5-ylmethyl-[(9-ethylcarbazol-3-yl)methyl]azanium
CID 2165207
3-(9-ethylcarbazol-3-yl)propan-1-ol
CID 117386651
9-ethyl-3-[(2,3,6-trifluorophenyl)methyl]carbazole
CID 91058956
N,N-bis[(9-ethylcarbazol-3-yl)methyl]ethanamine
CID 160567842
1-(9-ethylcarbazol-3-yl)propan-2-ol
CID 117386647
9-ethyl-3-[3-(2-methylphenyl)propyl]carbazole
CID 159633776
N-[(9-ethylcarbazol-3-yl)methyl]propan-2-amine;hydrochloride
CID 17156280
9-ethyl-3-(piperazin-1-ylmethyl)carbazole;hydrochloride
CID 156592203
9-ethyl-3-(piperazin-1-ylmethyl)carbazole;dihydrochloride
CID 75531489
2-(3-fluorocarbazol-9-yl)ethanol
CID 90309942

Frequently Asked Questions

What is the IUPAC name of (9-ethylcarbazol-3-yl)methyl-[2-(4-fluorophenyl)ethyl]azanium?
The IUPAC name of (9-ethylcarbazol-3-yl)methyl-[2-(4-fluorophenyl)ethyl]azanium (CID 2163692) is (9-ethylcarbazol-3-yl)methyl-[2-(4-fluorophenyl)ethyl]azanium.
What is the SMILES notation for (9-ethylcarbazol-3-yl)methyl-[2-(4-fluorophenyl)ethyl]azanium?
The canonical SMILES for (9-ethylcarbazol-3-yl)methyl-[2-(4-fluorophenyl)ethyl]azanium is CCn1c2ccccc2c2cc(C[NH2+]CCc3ccc(F)cc3)ccc21.
What is the InChIKey of (9-ethylcarbazol-3-yl)methyl-[2-(4-fluorophenyl)ethyl]azanium?
The InChIKey is LXGDCUZYFQEJGW-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H23FN2/c1-2-26-22-6-4-3-5-20(22)21-15-18(9-12-23(21)26)16-25-14-13-17-7-10-19(24)11-8-17/h3-12,15,25H,2,13-14,16H2,1H3/p+1.
What are the key properties of (9-ethylcarbazol-3-yl)methyl-[2-(4-fluorophenyl)ethyl]azanium?
(9-ethylcarbazol-3-yl)methyl-[2-(4-fluorophenyl)ethyl]azanium has a molecular weight of 347.46 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9-ethylcarbazol-3-yl)methyl-[2-(4-fluorophenyl)ethyl]azanium is sourced from PubChem (CID 2163692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).