2,4-dibromo-6-(indol-1-ylmethyl)aniline

C15H12Br2N2 — CID 51051206

IUPAC2,4-dibromo-6-(indol-1-ylmethyl)aniline
SMILESNc1c(Br)cc(Br)cc1Cn1ccc2ccccc21
InChIInChI=1S/C15H12Br2N2/c16-12-7-11(15(18)13(17)8-12)9-19-6-5-10-3-1-2-4-14(10)19/h1-8H,9,18H2
InChIKeyJUBIBBBESWLDML-UHFFFAOYSA-N
MW380.08 g/mol
LogP4.80
Rot. Bonds2

About 2,4-dibromo-6-(indol-1-ylmethyl)aniline

2,4-dibromo-6-(indol-1-ylmethyl)aniline (PubChem CID 51051206) has the molecular formula C15H12Br2N2 and a molecular weight of 380.08 g/mol. Its IUPAC name is 2,4-dibromo-6-(indol-1-ylmethyl)aniline.

Molecular Properties

Compound Name2,4-dibromo-6-(indol-1-ylmethyl)aniline
PubChem CID51051206
Molecular FormulaC15H12Br2N2
Molecular Weight380.08 g/mol
Exact Mass377.94
IUPAC Name2,4-dibromo-6-(indol-1-ylmethyl)aniline
SMILESNc1c(Br)cc(Br)cc1Cn1ccc2ccccc21
InChIInChI=1S/C15H12Br2N2/c16-12-7-11(15(18)13(17)8-12)9-19-6-5-10-3-1-2-4-14(10)19/h1-8H,9,18H2
InChIKeyJUBIBBBESWLDML-UHFFFAOYSA-N
XLogP4.80
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.08
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-Bromoindole
CID 24905
5-Bromotryptamine
CID 77158
2-(5-bromo-1H-indol-3-yl)acetonitrile
CID 13805944
1-Phenyl-1H-indole
CID 182029
Indole, 5-bromo-3-(dimethylamino)methyl-
CID 13249
(R,S)-1-(5-bromo-1H-indol-1-yl)propan-2-amine
CID 10753358
6-Bromo-4,9-dihydro-3H-beta-carboline
CID 42281505
5-Bromo-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 2763724
N-[2-(5-bromo-1H-indol-3-yl)ethyl]-N-prop-2-enylprop-2-en-1-amine
CID 127036953
5-Bromo-N,N-Dimethyltryptamine
CID 360252
1H-Indole, 5-bromo-3-(4-piperidinylmethyl)-
CID 3058416
1-Benzylindole
CID 96913

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-(indol-1-ylmethyl)aniline?
The IUPAC name of 2,4-dibromo-6-(indol-1-ylmethyl)aniline (CID 51051206) is 2,4-dibromo-6-(indol-1-ylmethyl)aniline.
What is the SMILES notation for 2,4-dibromo-6-(indol-1-ylmethyl)aniline?
The canonical SMILES for 2,4-dibromo-6-(indol-1-ylmethyl)aniline is Nc1c(Br)cc(Br)cc1Cn1ccc2ccccc21.
What is the InChIKey of 2,4-dibromo-6-(indol-1-ylmethyl)aniline?
The InChIKey is JUBIBBBESWLDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2N2/c16-12-7-11(15(18)13(17)8-12)9-19-6-5-10-3-1-2-4-14(10)19/h1-8H,9,18H2.
What are the key properties of 2,4-dibromo-6-(indol-1-ylmethyl)aniline?
2,4-dibromo-6-(indol-1-ylmethyl)aniline has a molecular weight of 380.08 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-(indol-1-ylmethyl)aniline is sourced from PubChem (CID 51051206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).