N-(2,4,6-tribromophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C17H16Br3N — CID 63425782

IUPACN-(2,4,6-tribromophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESBrc1cc(Br)c(NC2CCCCc3ccccc32)c(Br)c1
InChIInChI=1S/C17H16Br3N/c18-12-9-14(19)17(15(20)10-12)21-16-8-4-2-6-11-5-1-3-7-13(11)16/h1,3,5,7,9-10,16,21H,2,4,6,8H2
InChIKeySVLAALXIYBEDTR-UHFFFAOYSA-N
MW474.03 g/mol
LogP6.85
Rot. Bonds2

About N-(2,4,6-tribromophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

N-(2,4,6-tribromophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 63425782) has the molecular formula C17H16Br3N and a molecular weight of 474.03 g/mol. Its IUPAC name is N-(2,4,6-tribromophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound NameN-(2,4,6-tribromophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID63425782
Molecular FormulaC17H16Br3N
Molecular Weight474.03 g/mol
Exact Mass470.88
IUPAC NameN-(2,4,6-tribromophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESBrc1cc(Br)c(NC2CCCCc3ccccc32)c(Br)c1
InChIInChI=1S/C17H16Br3N/c18-12-9-14(19)17(15(20)10-12)21-16-8-4-2-6-11-5-1-3-7-13(11)16/h1,3,5,7,9-10,16,21H,2,4,6,8H2
InChIKeySVLAALXIYBEDTR-UHFFFAOYSA-N
XLogP6.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.03
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,6-dibromophenyl)-2,3-dihydro-1H-inden-1-amine
CID 107597542
N-(2,4,6-trimethylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63448599
N-(5-bromo-4-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 107591425
N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65470081
N-(3,4,5-trifluorophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63477361
1,3,5-trimethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrazol-4-amine
CID 43204439
N-(5-chloro-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43438379
N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine
CID 123748338
N-cyclopentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43095434
N-(2-ethyl-6-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63448457
N-cyclohexyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43094582
2-bromo-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzonitrile
CID 107276271

Frequently Asked Questions

What is the IUPAC name of N-(2,4,6-tribromophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of N-(2,4,6-tribromophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 63425782) is N-(2,4,6-tribromophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for N-(2,4,6-tribromophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for N-(2,4,6-tribromophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is Brc1cc(Br)c(NC2CCCCc3ccccc32)c(Br)c1.
What is the InChIKey of N-(2,4,6-tribromophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is SVLAALXIYBEDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br3N/c18-12-9-14(19)17(15(20)10-12)21-16-8-4-2-6-11-5-1-3-7-13(11)16/h1,3,5,7,9-10,16,21H,2,4,6,8H2.
What are the key properties of N-(2,4,6-tribromophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
N-(2,4,6-tribromophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 474.03 g/mol, XLogP of 6.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,6-tribromophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 63425782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).