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

C15H12BrClN2 — CID 102909447

IUPAC4-bromo-2-chloro-N-(1H-indol-6-ylmethyl)aniline
SMILESClc1cc(Br)ccc1NCc1ccc2cc[nH]c2c1
InChIInChI=1S/C15H12BrClN2/c16-12-3-4-14(13(17)8-12)19-9-10-1-2-11-5-6-18-15(11)7-10/h1-8,18-19H,9H2
InChIKeyAMICYXSPDVYIGR-UHFFFAOYSA-N
MW335.63 g/mol
LogP5.20
Rot. Bonds3

About 4-bromo-2-chloro-N-(1H-indol-6-ylmethyl)aniline

4-bromo-2-chloro-N-(1H-indol-6-ylmethyl)aniline (PubChem CID 102909447) has the molecular formula C15H12BrClN2 and a molecular weight of 335.63 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(1H-indol-6-ylmethyl)aniline.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(1H-indol-6-ylmethyl)aniline
PubChem CID102909447
Molecular FormulaC15H12BrClN2
Molecular Weight335.63 g/mol
Exact Mass333.99
IUPAC Name4-bromo-2-chloro-N-(1H-indol-6-ylmethyl)aniline
SMILESClc1cc(Br)ccc1NCc1ccc2cc[nH]c2c1
InChIInChI=1S/C15H12BrClN2/c16-12-3-4-14(13(17)8-12)19-9-10-1-2-11-5-6-18-15(11)7-10/h1-8,18-19H,9H2
InChIKeyAMICYXSPDVYIGR-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-5-chloro-N-(1H-indol-6-ylmethyl)aniline
CID 102911508
6-chloro-N-(1H-indol-6-ylmethyl)-1,3-benzodioxol-5-amine
CID 102909590
4-bromo-3-chloro-N-(1H-indol-6-ylmethyl)aniline
CID 107619291
4-bromo-N-[(4-bromo-3-chlorophenyl)methyl]-2-chloroaniline
CID 114076417
3-chloro-2-fluoro-N-(1H-indol-6-ylmethyl)aniline
CID 102909401
2,4,6-tribromo-N-(1H-indol-6-ylmethyl)aniline
CID 102909414
2-bromo-N-(1H-indol-6-ylmethyl)pyridin-3-amine
CID 114051468
4-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]aniline
CID 43347330
N-(1H-indol-6-ylmethyl)aniline
CID 29012556
4-bromo-2-chloro-N-[(3-cyclopropylphenyl)methyl]aniline
CID 79979060
2-bromo-N-(1H-indol-6-ylmethyl)-5-nitroaniline
CID 102911634
4-bromo-2-chloro-N-(pyrimidin-5-ylmethyl)aniline
CID 62758955

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(1H-indol-6-ylmethyl)aniline?
The IUPAC name of 4-bromo-2-chloro-N-(1H-indol-6-ylmethyl)aniline (CID 102909447) is 4-bromo-2-chloro-N-(1H-indol-6-ylmethyl)aniline.
What is the SMILES notation for 4-bromo-2-chloro-N-(1H-indol-6-ylmethyl)aniline?
The canonical SMILES for 4-bromo-2-chloro-N-(1H-indol-6-ylmethyl)aniline is Clc1cc(Br)ccc1NCc1ccc2cc[nH]c2c1.
What is the InChIKey of 4-bromo-2-chloro-N-(1H-indol-6-ylmethyl)aniline?
The InChIKey is AMICYXSPDVYIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2/c16-12-3-4-14(13(17)8-12)19-9-10-1-2-11-5-6-18-15(11)7-10/h1-8,18-19H,9H2.
What are the key properties of 4-bromo-2-chloro-N-(1H-indol-6-ylmethyl)aniline?
4-bromo-2-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 4-bromo-2-chloro-N-(1H-indol-6-ylmethyl)aniline is sourced from PubChem (CID 102909447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).