6-bromo-N-(2-phenylpropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C21H23BrN2 — CID 11270093

IUPAC6-bromo-N-(2-phenylpropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCC(C)(NC1CCCc2c1[nH]c1ccc(Br)cc21)c1ccccc1
InChIInChI=1S/C21H23BrN2/c1-21(2,14-7-4-3-5-8-14)24-19-10-6-9-16-17-13-15(22)11-12-18(17)23-20(16)19/h3-5,7-8,11-13,19,23-24H,6,9-10H2,1-2H3
InChIKeyKMRFGWZXNWGTRR-UHFFFAOYSA-N
MW383.33 g/mol
LogP5.83
Rot. Bonds3

About 6-bromo-N-(2-phenylpropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine

6-bromo-N-(2-phenylpropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 11270093) has the molecular formula C21H23BrN2 and a molecular weight of 383.33 g/mol. Its IUPAC name is 6-bromo-N-(2-phenylpropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound Name6-bromo-N-(2-phenylpropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID11270093
Molecular FormulaC21H23BrN2
Molecular Weight383.33 g/mol
Exact Mass382.10
IUPAC Name6-bromo-N-(2-phenylpropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCC(C)(NC1CCCc2c1[nH]c1ccc(Br)cc21)c1ccccc1
InChIInChI=1S/C21H23BrN2/c1-21(2,14-7-4-3-5-8-14)24-19-10-6-9-16-17-13-15(22)11-12-18(17)23-20(16)19/h3-5,7-8,11-13,19,23-24H,6,9-10H2,1-2H3
InChIKeyKMRFGWZXNWGTRR-UHFFFAOYSA-N
XLogP5.83
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.33
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-phenylpropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of 6-bromo-N-(2-phenylpropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 11270093) is 6-bromo-N-(2-phenylpropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for 6-bromo-N-(2-phenylpropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for 6-bromo-N-(2-phenylpropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine is CC(C)(NC1CCCc2c1[nH]c1ccc(Br)cc21)c1ccccc1.
What is the InChIKey of 6-bromo-N-(2-phenylpropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is KMRFGWZXNWGTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2/c1-21(2,14-7-4-3-5-8-14)24-19-10-6-9-16-17-13-15(22)11-12-18(17)23-20(16)19/h3-5,7-8,11-13,19,23-24H,6,9-10H2,1-2H3.
What are the key properties of 6-bromo-N-(2-phenylpropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
6-bromo-N-(2-phenylpropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 383.33 g/mol, XLogP of 5.83, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-phenylpropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 11270093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).