9-ethyl-N-[(2,3,6-trifluorophenyl)methyl]carbazol-3-amine

C21H17F3N2 — CID 22664263

IUPAC9-ethyl-N-[(2,3,6-trifluorophenyl)methyl]carbazol-3-amine
SMILESCCn1c2ccccc2c2cc(NCc3c(F)ccc(F)c3F)ccc21
InChIInChI=1S/C21H17F3N2/c1-2-26-19-6-4-3-5-14(19)15-11-13(7-10-20(15)26)25-12-16-17(22)8-9-18(23)21(16)24/h3-11,25H,2,12H2,1H3
InChIKeyUWPWYIXWMUUICQ-UHFFFAOYSA-N
MW354.38 g/mol
LogP5.84
Rot. Bonds4

About 9-ethyl-N-[(2,3,6-trifluorophenyl)methyl]carbazol-3-amine

9-ethyl-N-[(2,3,6-trifluorophenyl)methyl]carbazol-3-amine (PubChem CID 22664263) has the molecular formula C21H17F3N2 and a molecular weight of 354.38 g/mol. Its IUPAC name is 9-ethyl-N-[(2,3,6-trifluorophenyl)methyl]carbazol-3-amine.

Molecular Properties

Compound Name9-ethyl-N-[(2,3,6-trifluorophenyl)methyl]carbazol-3-amine
PubChem CID22664263
Molecular FormulaC21H17F3N2
Molecular Weight354.38 g/mol
Exact Mass354.13
IUPAC Name9-ethyl-N-[(2,3,6-trifluorophenyl)methyl]carbazol-3-amine
SMILESCCn1c2ccccc2c2cc(NCc3c(F)ccc(F)c3F)ccc21
InChIInChI=1S/C21H17F3N2/c1-2-26-19-6-4-3-5-14(19)15-11-13(7-10-20(15)26)25-12-16-17(22)8-9-18(23)21(16)24/h3-11,25H,2,12H2,1H3
InChIKeyUWPWYIXWMUUICQ-UHFFFAOYSA-N
XLogP5.84
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.38
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-N-[(2,3,6-trifluorophenyl)methyl]carbazol-3-amine?
The IUPAC name of 9-ethyl-N-[(2,3,6-trifluorophenyl)methyl]carbazol-3-amine (CID 22664263) is 9-ethyl-N-[(2,3,6-trifluorophenyl)methyl]carbazol-3-amine.
What is the SMILES notation for 9-ethyl-N-[(2,3,6-trifluorophenyl)methyl]carbazol-3-amine?
The canonical SMILES for 9-ethyl-N-[(2,3,6-trifluorophenyl)methyl]carbazol-3-amine is CCn1c2ccccc2c2cc(NCc3c(F)ccc(F)c3F)ccc21.
What is the InChIKey of 9-ethyl-N-[(2,3,6-trifluorophenyl)methyl]carbazol-3-amine?
The InChIKey is UWPWYIXWMUUICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2/c1-2-26-19-6-4-3-5-14(19)15-11-13(7-10-20(15)26)25-12-16-17(22)8-9-18(23)21(16)24/h3-11,25H,2,12H2,1H3.
What are the key properties of 9-ethyl-N-[(2,3,6-trifluorophenyl)methyl]carbazol-3-amine?
9-ethyl-N-[(2,3,6-trifluorophenyl)methyl]carbazol-3-amine has a molecular weight of 354.38 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-N-[(2,3,6-trifluorophenyl)methyl]carbazol-3-amine is sourced from PubChem (CID 22664263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).