1-(2,4-dibromophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine

C16H18Br2N2 — CID 63464845

IUPAC1-(2,4-dibromophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
SMILESCC1(C)Cc2c(ccn2-c2ccc(Br)cc2Br)C(N)C1
InChIInChI=1S/C16H18Br2N2/c1-16(2)8-13(19)11-5-6-20(15(11)9-16)14-4-3-10(17)7-12(14)18/h3-7,13H,8-9,19H2,1-2H3
InChIKeyCRSACVRGJIUNMK-UHFFFAOYSA-N
MW398.14 g/mol
LogP4.97
Rot. Bonds1

About 1-(2,4-dibromophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine

1-(2,4-dibromophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine (PubChem CID 63464845) has the molecular formula C16H18Br2N2 and a molecular weight of 398.14 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
PubChem CID63464845
Molecular FormulaC16H18Br2N2
Molecular Weight398.14 g/mol
Exact Mass395.98
IUPAC Name1-(2,4-dibromophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
SMILESCC1(C)Cc2c(ccn2-c2ccc(Br)cc2Br)C(N)C1
InChIInChI=1S/C16H18Br2N2/c1-16(2)8-13(19)11-5-6-20(15(11)9-16)14-4-3-10(17)7-12(14)18/h3-7,13H,8-9,19H2,1-2H3
InChIKeyCRSACVRGJIUNMK-UHFFFAOYSA-N
XLogP4.97
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.14
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 1-(2,4-dibromophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine (CID 63464845) is 1-(2,4-dibromophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 1-(2,4-dibromophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 1-(2,4-dibromophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine is CC1(C)Cc2c(ccn2-c2ccc(Br)cc2Br)C(N)C1.
What is the InChIKey of 1-(2,4-dibromophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
The InChIKey is CRSACVRGJIUNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Br2N2/c1-16(2)8-13(19)11-5-6-20(15(11)9-16)14-4-3-10(17)7-12(14)18/h3-7,13H,8-9,19H2,1-2H3.
What are the key properties of 1-(2,4-dibromophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
1-(2,4-dibromophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine has a molecular weight of 398.14 g/mol, XLogP of 4.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 63464845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).