2-bromo-5-chloro-N-(1H-indol-6-ylmethyl)aniline

C15H12BrClN2 — CID 102911508

IUPAC2-bromo-5-chloro-N-(1H-indol-6-ylmethyl)aniline
SMILESClc1ccc(Br)c(NCc2ccc3cc[nH]c3c2)c1
InChIInChI=1S/C15H12BrClN2/c16-13-4-3-12(17)8-15(13)19-9-10-1-2-11-5-6-18-14(11)7-10/h1-8,18-19H,9H2
InChIKeyIIIHCECLSOKRRY-UHFFFAOYSA-N
MW335.63 g/mol
LogP5.20
Rot. Bonds3

About 2-bromo-5-chloro-N-(1H-indol-6-ylmethyl)aniline

2-bromo-5-chloro-N-(1H-indol-6-ylmethyl)aniline (PubChem CID 102911508) has the molecular formula C15H12BrClN2 and a molecular weight of 335.63 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-(1H-indol-6-ylmethyl)aniline.

Molecular Properties

Compound Name2-bromo-5-chloro-N-(1H-indol-6-ylmethyl)aniline
PubChem CID102911508
Molecular FormulaC15H12BrClN2
Molecular Weight335.63 g/mol
Exact Mass333.99
IUPAC Name2-bromo-5-chloro-N-(1H-indol-6-ylmethyl)aniline
SMILESClc1ccc(Br)c(NCc2ccc3cc[nH]c3c2)c1
InChIInChI=1S/C15H12BrClN2/c16-13-4-3-12(17)8-15(13)19-9-10-1-2-11-5-6-18-14(11)7-10/h1-8,18-19H,9H2
InChIKeyIIIHCECLSOKRRY-UHFFFAOYSA-N
XLogP5.20
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.63
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-(1H-indol-6-ylmethyl)-5-nitroaniline
CID 102911634
4-bromo-3-chloro-N-(1H-indol-6-ylmethyl)aniline
CID 107619291
4-bromo-2-chloro-N-(1H-indol-6-ylmethyl)aniline
CID 102909447
2,4,6-tribromo-N-(1H-indol-6-ylmethyl)aniline
CID 102909414
2-bromo-5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline
CID 81280104
2-bromo-N-(1H-indol-5-ylmethyl)-5-methylaniline
CID 102911718
2-bromo-N-(1H-indol-6-ylmethyl)pyridin-3-amine
CID 114051468
2-bromo-5-chloro-N-(isoquinolin-6-ylmethyl)aniline
CID 107038660
3-chloro-2-fluoro-N-(1H-indol-6-ylmethyl)aniline
CID 102909401
6-chloro-N-(1H-indol-6-ylmethyl)-1,3-benzodioxol-5-amine
CID 102909590
4-chloro-N-(1H-indol-5-ylmethyl)-2-iodoaniline
CID 107631753
2-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 53274413

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-(1H-indol-6-ylmethyl)aniline?
The IUPAC name of 2-bromo-5-chloro-N-(1H-indol-6-ylmethyl)aniline (CID 102911508) is 2-bromo-5-chloro-N-(1H-indol-6-ylmethyl)aniline.
What is the SMILES notation for 2-bromo-5-chloro-N-(1H-indol-6-ylmethyl)aniline?
The canonical SMILES for 2-bromo-5-chloro-N-(1H-indol-6-ylmethyl)aniline is Clc1ccc(Br)c(NCc2ccc3cc[nH]c3c2)c1.
What is the InChIKey of 2-bromo-5-chloro-N-(1H-indol-6-ylmethyl)aniline?
The InChIKey is IIIHCECLSOKRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2/c16-13-4-3-12(17)8-15(13)19-9-10-1-2-11-5-6-18-14(11)7-10/h1-8,18-19H,9H2.
What are the key properties of 2-bromo-5-chloro-N-(1H-indol-6-ylmethyl)aniline?
2-bromo-5-chloro-N-(1H-indol-6-ylmethyl)aniline has a molecular weight of 335.63 g/mol, XLogP of 5.20, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-(1H-indol-6-ylmethyl)aniline is sourced from PubChem (CID 102911508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).