2-(6-bromo-1H-indol-3-yl)-N-chloroethanamine

C10H10BrClN2 — CID 88853409

IUPAC2-(6-bromo-1H-indol-3-yl)-N-chloroethanamine
SMILESClNCCc1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C10H10BrClN2/c11-8-1-2-9-7(3-4-14-12)6-13-10(9)5-8/h1-2,5-6,13-14H,3-4H2
InChIKeyDNIDPYPLTPDOEF-UHFFFAOYSA-N
MW273.56 g/mol
LogP3.22
Rot. Bonds3

About 2-(6-bromo-1H-indol-3-yl)-N-chloroethanamine

2-(6-bromo-1H-indol-3-yl)-N-chloroethanamine (PubChem CID 88853409) has the molecular formula C10H10BrClN2 and a molecular weight of 273.56 g/mol. Its IUPAC name is 2-(6-bromo-1H-indol-3-yl)-N-chloroethanamine.

Molecular Properties

Compound Name2-(6-bromo-1H-indol-3-yl)-N-chloroethanamine
PubChem CID88853409
Molecular FormulaC10H10BrClN2
Molecular Weight273.56 g/mol
Exact Mass271.97
IUPAC Name2-(6-bromo-1H-indol-3-yl)-N-chloroethanamine
SMILESClNCCc1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C10H10BrClN2/c11-8-1-2-9-7(3-4-14-12)6-13-10(9)5-8/h1-2,5-6,13-14H,3-4H2
InChIKeyDNIDPYPLTPDOEF-UHFFFAOYSA-N
XLogP3.22
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.56
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(6-bromo-1H-indol-3-yl)-N-[2-(6-bromo-1H-indol-3-yl)ethyl]-2-oxoacetamide
CID 118899491
1-(6-bromo-1H-indol-3-yl)-2-methylpropan-2-ol
CID 84712066
6-bromo-3-(ethylsulfanylmethyl)-1H-indole
CID 57138871
2-[2-(6-bromo-1H-indol-3-yl)ethylamino]-5-(trifluoromethyl)benzonitrile
CID 170655496
5-bromo-3-(chloromethyl)-1H-indole
CID 66854082
2-(5-bromo-1H-indol-3-yl)ethanamine;methane
CID 139467696
2-(5-bromo-1H-indol-3-yl)-N,N-dimethylethanamine oxide
CID 53493869
2-(3-bromophenyl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]acetamide
CID 113083740
N-[2-(5-bromo-1H-indol-3-yl)ethyl]-5-chloro-2-hydroxybenzamide
CID 155518400
6-bromo-1H-indol-3-ol;phosphoric acid
CID 135389689
6-bromo-N-[2-(1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide
CID 55558900
5-bromo-2-ethoxy-N-[2-(1H-indol-3-yl)ethyl]aniline
CID 1259485

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-1H-indol-3-yl)-N-chloroethanamine?
The IUPAC name of 2-(6-bromo-1H-indol-3-yl)-N-chloroethanamine (CID 88853409) is 2-(6-bromo-1H-indol-3-yl)-N-chloroethanamine.
What is the SMILES notation for 2-(6-bromo-1H-indol-3-yl)-N-chloroethanamine?
The canonical SMILES for 2-(6-bromo-1H-indol-3-yl)-N-chloroethanamine is ClNCCc1c[nH]c2cc(Br)ccc12.
What is the InChIKey of 2-(6-bromo-1H-indol-3-yl)-N-chloroethanamine?
The InChIKey is DNIDPYPLTPDOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2/c11-8-1-2-9-7(3-4-14-12)6-13-10(9)5-8/h1-2,5-6,13-14H,3-4H2.
What are the key properties of 2-(6-bromo-1H-indol-3-yl)-N-chloroethanamine?
2-(6-bromo-1H-indol-3-yl)-N-chloroethanamine has a molecular weight of 273.56 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-1H-indol-3-yl)-N-chloroethanamine is sourced from PubChem (CID 88853409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).