1-(3-bromophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine

C17H21BrN2 — CID 63465369

IUPAC1-(3-bromophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
SMILESCc1cc2c(n1-c1cccc(Br)c1)CC(C)(C)CC2N
InChIInChI=1S/C17H21BrN2/c1-11-7-14-15(19)9-17(2,3)10-16(14)20(11)13-6-4-5-12(18)8-13/h4-8,15H,9-10,19H2,1-3H3
InChIKeyGGBLLXVWHOARPD-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.52
Rot. Bonds1

About 1-(3-bromophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine

1-(3-bromophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine (PubChem CID 63465369) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
PubChem CID63465369
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC Name1-(3-bromophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
SMILESCc1cc2c(n1-c1cccc(Br)c1)CC(C)(C)CC2N
InChIInChI=1S/C17H21BrN2/c1-11-7-14-15(19)9-17(2,3)10-16(14)20(11)13-6-4-5-12(18)8-13/h4-8,15H,9-10,19H2,1-3H3
InChIKeyGGBLLXVWHOARPD-UHFFFAOYSA-N
XLogP4.52
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 1-(3-bromophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine (CID 63465369) is 1-(3-bromophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 1-(3-bromophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 1-(3-bromophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine is Cc1cc2c(n1-c1cccc(Br)c1)CC(C)(C)CC2N.
What is the InChIKey of 1-(3-bromophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine?
The InChIKey is GGBLLXVWHOARPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-11-7-14-15(19)9-17(2,3)10-16(14)20(11)13-6-4-5-12(18)8-13/h4-8,15H,9-10,19H2,1-3H3.
What are the key properties of 1-(3-bromophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine?
1-(3-bromophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine has a molecular weight of 333.27 g/mol, XLogP of 4.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 63465369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).