2,4,6-tribromo-N-(1H-indol-6-ylmethyl)aniline

C15H11Br3N2 — CID 102909414

IUPAC2,4,6-tribromo-N-(1H-indol-6-ylmethyl)aniline
SMILESBrc1cc(Br)c(NCc2ccc3cc[nH]c3c2)c(Br)c1
InChIInChI=1S/C15H11Br3N2/c16-11-6-12(17)15(13(18)7-11)20-8-9-1-2-10-3-4-19-14(10)5-9/h1-7,19-20H,8H2
InChIKeyOIBRNPGKYVWSOB-UHFFFAOYSA-N
MW458.98 g/mol
LogP6.07
Rot. Bonds3

About 2,4,6-tribromo-N-(1H-indol-6-ylmethyl)aniline

2,4,6-tribromo-N-(1H-indol-6-ylmethyl)aniline (PubChem CID 102909414) has the molecular formula C15H11Br3N2 and a molecular weight of 458.98 g/mol. Its IUPAC name is 2,4,6-tribromo-N-(1H-indol-6-ylmethyl)aniline.

Molecular Properties

Compound Name2,4,6-tribromo-N-(1H-indol-6-ylmethyl)aniline
PubChem CID102909414
Molecular FormulaC15H11Br3N2
Molecular Weight458.98 g/mol
Exact Mass455.85
IUPAC Name2,4,6-tribromo-N-(1H-indol-6-ylmethyl)aniline
SMILESBrc1cc(Br)c(NCc2ccc3cc[nH]c3c2)c(Br)c1
InChIInChI=1S/C15H11Br3N2/c16-11-6-12(17)15(13(18)7-11)20-8-9-1-2-10-3-4-19-14(10)5-9/h1-7,19-20H,8H2
InChIKeyOIBRNPGKYVWSOB-UHFFFAOYSA-N
XLogP6.07
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.98
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-(1H-indol-6-ylmethyl)-2-methoxy-6-methylaniline
CID 102910112
4-bromo-2-chloro-N-(1H-indol-6-ylmethyl)aniline
CID 102909447
4-bromo-3-chloro-N-(1H-indol-6-ylmethyl)aniline
CID 107619291
2-bromo-5-chloro-N-(1H-indol-6-ylmethyl)aniline
CID 102911508
N-(1H-indol-6-ylmethyl)aniline
CID 29012556
2-bromo-N-(1H-indol-6-ylmethyl)-5-nitroaniline
CID 102911634
2-bromo-N-(1H-indol-6-ylmethyl)pyridin-3-amine
CID 114051468
N-(1H-indol-6-ylmethyl)-1,3,5-trimethylpyrazol-4-amine
CID 102909317
2,4,6-tribromo-N-[(3,4-dichlorophenyl)methyl]aniline
CID 63425740
6-(bromomethyl)-1H-indole
CID 22062878
1-(1H-indol-6-yl)-N-methoxymethanamine
CID 82599129
4,5-dibromo-N-(1H-indol-6-ylmethyl)-1H-pyrrole-2-carboxamide
CID 155519985

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-N-(1H-indol-6-ylmethyl)aniline?
The IUPAC name of 2,4,6-tribromo-N-(1H-indol-6-ylmethyl)aniline (CID 102909414) is 2,4,6-tribromo-N-(1H-indol-6-ylmethyl)aniline.
What is the SMILES notation for 2,4,6-tribromo-N-(1H-indol-6-ylmethyl)aniline?
The canonical SMILES for 2,4,6-tribromo-N-(1H-indol-6-ylmethyl)aniline is Brc1cc(Br)c(NCc2ccc3cc[nH]c3c2)c(Br)c1.
What is the InChIKey of 2,4,6-tribromo-N-(1H-indol-6-ylmethyl)aniline?
The InChIKey is OIBRNPGKYVWSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br3N2/c16-11-6-12(17)15(13(18)7-11)20-8-9-1-2-10-3-4-19-14(10)5-9/h1-7,19-20H,8H2.
What are the key properties of 2,4,6-tribromo-N-(1H-indol-6-ylmethyl)aniline?
2,4,6-tribromo-N-(1H-indol-6-ylmethyl)aniline has a molecular weight of 458.98 g/mol, XLogP of 6.07, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-N-(1H-indol-6-ylmethyl)aniline is sourced from PubChem (CID 102909414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).