N-[[7-bromo-2-(2-methyl-3-phenylphenyl)indazol-5-yl]methyl]ethanamine

C23H22BrN3 — CID 175707153

IUPACN-[[7-bromo-2-(2-methyl-3-phenylphenyl)indazol-5-yl]methyl]ethanamine
SMILESCCNCc1cc(Br)c2nn(-c3cccc(-c4ccccc4)c3C)cc2c1
InChIInChI=1S/C23H22BrN3/c1-3-25-14-17-12-19-15-27(26-23(19)21(24)13-17)22-11-7-10-20(16(22)2)18-8-5-4-6-9-18/h4-13,15,25H,3,14H2,1-2H3
InChIKeyFANAQDPUMVEOIM-UHFFFAOYSA-N
MW420.35 g/mol
LogP5.87
Rot. Bonds5

About N-[[7-bromo-2-(2-methyl-3-phenylphenyl)indazol-5-yl]methyl]ethanamine

N-[[7-bromo-2-(2-methyl-3-phenylphenyl)indazol-5-yl]methyl]ethanamine (PubChem CID 175707153) has the molecular formula C23H22BrN3 and a molecular weight of 420.35 g/mol. Its IUPAC name is N-[[7-bromo-2-(2-methyl-3-phenylphenyl)indazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[7-bromo-2-(2-methyl-3-phenylphenyl)indazol-5-yl]methyl]ethanamine
PubChem CID175707153
Molecular FormulaC23H22BrN3
Molecular Weight420.35 g/mol
Exact Mass419.10
IUPAC NameN-[[7-bromo-2-(2-methyl-3-phenylphenyl)indazol-5-yl]methyl]ethanamine
SMILESCCNCc1cc(Br)c2nn(-c3cccc(-c4ccccc4)c3C)cc2c1
InChIInChI=1S/C23H22BrN3/c1-3-25-14-17-12-19-15-27(26-23(19)21(24)13-17)22-11-7-10-20(16(22)2)18-8-5-4-6-9-18/h4-13,15,25H,3,14H2,1-2H3
InChIKeyFANAQDPUMVEOIM-UHFFFAOYSA-N
XLogP5.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.35
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylaniline
CID 66560343
8-bromo-5,5-dimethyl-1-phenyl-4H-benzo[g]indazole
CID 60150541
4-bromo-N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]aniline
CID 66560259
N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methyl]aniline
CID 118736303
4-bromo-N-[(1,3-diphenylpyrazol-4-yl)methyl]aniline
CID 118736304
N-[(2-aminonaphthalen-1-yl)methyl]-6-bromo-1H-indazol-4-amine
CID 146669481
8-bromo-5,5-dimethyl-1-(4-methylphenyl)-4H-benzo[g]indazole
CID 70695910
3-Phenylbenz[e]indazole
CID 21044936
2-(2-Bromophenyl)indazole
CID 134960554
2-(2-Bromo-4-methylphenyl)indazole
CID 166446141
7-bromo-3-(1-phenylpyrazol-4-yl)-1H-indazole
CID 90489644
N-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylpropan-1-amine
CID 59251092

Frequently Asked Questions

What is the IUPAC name of N-[[7-bromo-2-(2-methyl-3-phenylphenyl)indazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[7-bromo-2-(2-methyl-3-phenylphenyl)indazol-5-yl]methyl]ethanamine (CID 175707153) is N-[[7-bromo-2-(2-methyl-3-phenylphenyl)indazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[7-bromo-2-(2-methyl-3-phenylphenyl)indazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[7-bromo-2-(2-methyl-3-phenylphenyl)indazol-5-yl]methyl]ethanamine is CCNCc1cc(Br)c2nn(-c3cccc(-c4ccccc4)c3C)cc2c1.
What is the InChIKey of N-[[7-bromo-2-(2-methyl-3-phenylphenyl)indazol-5-yl]methyl]ethanamine?
The InChIKey is FANAQDPUMVEOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrN3/c1-3-25-14-17-12-19-15-27(26-23(19)21(24)13-17)22-11-7-10-20(16(22)2)18-8-5-4-6-9-18/h4-13,15,25H,3,14H2,1-2H3.
What are the key properties of N-[[7-bromo-2-(2-methyl-3-phenylphenyl)indazol-5-yl]methyl]ethanamine?
N-[[7-bromo-2-(2-methyl-3-phenylphenyl)indazol-5-yl]methyl]ethanamine has a molecular weight of 420.35 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-bromo-2-(2-methyl-3-phenylphenyl)indazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 175707153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).