4-bromo-2,3-dichloro-N-[(1-methylindol-3-yl)methyl]aniline

C16H13BrCl2N2 — CID 107787603

IUPAC4-bromo-2,3-dichloro-N-[(1-methylindol-3-yl)methyl]aniline
SMILESCn1cc(CNc2ccc(Br)c(Cl)c2Cl)c2ccccc21
InChIInChI=1S/C16H13BrCl2N2/c1-21-9-10(11-4-2-3-5-14(11)21)8-20-13-7-6-12(17)15(18)16(13)19/h2-7,9,20H,8H2,1H3
InChIKeyAIZNWGPGNFOEGB-UHFFFAOYSA-N
MW384.10 g/mol
LogP5.86
Rot. Bonds3

About 4-bromo-2,3-dichloro-N-[(1-methylindol-3-yl)methyl]aniline

4-bromo-2,3-dichloro-N-[(1-methylindol-3-yl)methyl]aniline (PubChem CID 107787603) has the molecular formula C16H13BrCl2N2 and a molecular weight of 384.10 g/mol. Its IUPAC name is 4-bromo-2,3-dichloro-N-[(1-methylindol-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-bromo-2,3-dichloro-N-[(1-methylindol-3-yl)methyl]aniline
PubChem CID107787603
Molecular FormulaC16H13BrCl2N2
Molecular Weight384.10 g/mol
Exact Mass381.96
IUPAC Name4-bromo-2,3-dichloro-N-[(1-methylindol-3-yl)methyl]aniline
SMILESCn1cc(CNc2ccc(Br)c(Cl)c2Cl)c2ccccc21
InChIInChI=1S/C16H13BrCl2N2/c1-21-9-10(11-4-2-3-5-14(11)21)8-20-13-7-6-12(17)15(18)16(13)19/h2-7,9,20H,8H2,1H3
InChIKeyAIZNWGPGNFOEGB-UHFFFAOYSA-N
XLogP5.86
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.10
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 4-bromo-2,3-dichloro-N-[(1-methylindol-3-yl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline
CID 107234529
4-methyl-1-N-[(1-methylindol-3-yl)methyl]benzene-1,2-diamine
CID 115125054
4-bromo-3,5-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline
CID 107571918
4-bromo-2,3-dichloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline
CID 107788039
3-ethyl-1-methyl-N-[(1-methylindol-3-yl)methyl]pyrazol-4-amine
CID 107462367
3-chloro-5-fluoro-N-[(1-methylindol-3-yl)methyl]aniline
CID 107363989
3-fluoro-5-methyl-N-[(1-methylindol-3-yl)methyl]aniline
CID 107235875
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2,3-dichloroaniline
CID 107787441
N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
CID 115226846
4-bromo-N-[(2-bromo-4-chlorophenyl)methyl]-2,3-dichloroaniline
CID 107788034
N-ethoxy-1-(1-methylindol-3-yl)methanamine
CID 107236064
3-ethyl-N-[(1-methylindol-3-yl)methyl]pentan-3-amine
CID 107235802

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,3-dichloro-N-[(1-methylindol-3-yl)methyl]aniline?
The IUPAC name of 4-bromo-2,3-dichloro-N-[(1-methylindol-3-yl)methyl]aniline (CID 107787603) is 4-bromo-2,3-dichloro-N-[(1-methylindol-3-yl)methyl]aniline.
What is the SMILES notation for 4-bromo-2,3-dichloro-N-[(1-methylindol-3-yl)methyl]aniline?
The canonical SMILES for 4-bromo-2,3-dichloro-N-[(1-methylindol-3-yl)methyl]aniline is Cn1cc(CNc2ccc(Br)c(Cl)c2Cl)c2ccccc21.
What is the InChIKey of 4-bromo-2,3-dichloro-N-[(1-methylindol-3-yl)methyl]aniline?
The InChIKey is AIZNWGPGNFOEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrCl2N2/c1-21-9-10(11-4-2-3-5-14(11)21)8-20-13-7-6-12(17)15(18)16(13)19/h2-7,9,20H,8H2,1H3.
What are the key properties of 4-bromo-2,3-dichloro-N-[(1-methylindol-3-yl)methyl]aniline?
4-bromo-2,3-dichloro-N-[(1-methylindol-3-yl)methyl]aniline has a molecular weight of 384.10 g/mol, XLogP of 5.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,3-dichloro-N-[(1-methylindol-3-yl)methyl]aniline is sourced from PubChem (CID 107787603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).