6-bromo-N-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride

C18H18BrClN2 — CID 68927585

IUPAC6-bromo-N-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride
SMILESBrc1ccc2[nH]c3c(c2c1)CCCC3Nc1ccccc1.Cl
InChIInChI=1S/C18H17BrN2.ClH/c19-12-9-10-16-15(11-12)14-7-4-8-17(18(14)21-16)20-13-5-2-1-3-6-13;/h1-3,5-6,9-11,17,20-21H,4,7-8H2;1H
InChIKeyIOAOAEAWXKYRNX-UHFFFAOYSA-N
MW377.71 g/mol
LogP5.84
Rot. Bonds2

About 6-bromo-N-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride

6-bromo-N-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride (PubChem CID 68927585) has the molecular formula C18H18BrClN2 and a molecular weight of 377.71 g/mol. Its IUPAC name is 6-bromo-N-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride.

Molecular Properties

Compound Name6-bromo-N-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride
PubChem CID68927585
Molecular FormulaC18H18BrClN2
Molecular Weight377.71 g/mol
Exact Mass376.03
IUPAC Name6-bromo-N-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride
SMILESBrc1ccc2[nH]c3c(c2c1)CCCC3Nc1ccccc1.Cl
InChIInChI=1S/C18H17BrN2.ClH/c19-12-9-10-16-15(11-12)14-7-4-8-17(18(14)21-16)20-13-5-2-1-3-6-13;/h1-3,5-6,9-11,17,20-21H,4,7-8H2;1H
InChIKeyIOAOAEAWXKYRNX-UHFFFAOYSA-N
XLogP5.84
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.71
LogP ≤ 55.84
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-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride?
The IUPAC name of 6-bromo-N-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride (CID 68927585) is 6-bromo-N-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride.
What is the SMILES notation for 6-bromo-N-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride?
The canonical SMILES for 6-bromo-N-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride is Brc1ccc2[nH]c3c(c2c1)CCCC3Nc1ccccc1.Cl.
What is the InChIKey of 6-bromo-N-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride?
The InChIKey is IOAOAEAWXKYRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2.ClH/c19-12-9-10-16-15(11-12)14-7-4-8-17(18(14)21-16)20-13-5-2-1-3-6-13;/h1-3,5-6,9-11,17,20-21H,4,7-8H2;1H.
What are the key properties of 6-bromo-N-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride?
6-bromo-N-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride has a molecular weight of 377.71 g/mol, XLogP of 5.84, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride is sourced from PubChem (CID 68927585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).