1-(4-bromo-2-indazol-1-ylphenyl)-N-ethylethanamine

C17H18BrN3 — CID 82954893

IUPAC1-(4-bromo-2-indazol-1-ylphenyl)-N-ethylethanamine
SMILESCCNC(C)c1ccc(Br)cc1-n1ncc2ccccc21
InChIInChI=1S/C17H18BrN3/c1-3-19-12(2)15-9-8-14(18)10-17(15)21-16-7-5-4-6-13(16)11-20-21/h4-12,19H,3H2,1-2H3
InChIKeyQKEXUPGIOZPMPO-UHFFFAOYSA-N
MW344.26 g/mol
LogP4.46
Rot. Bonds4

About 1-(4-bromo-2-indazol-1-ylphenyl)-N-ethylethanamine

1-(4-bromo-2-indazol-1-ylphenyl)-N-ethylethanamine (PubChem CID 82954893) has the molecular formula C17H18BrN3 and a molecular weight of 344.26 g/mol. Its IUPAC name is 1-(4-bromo-2-indazol-1-ylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-indazol-1-ylphenyl)-N-ethylethanamine
PubChem CID82954893
Molecular FormulaC17H18BrN3
Molecular Weight344.26 g/mol
Exact Mass343.07
IUPAC Name1-(4-bromo-2-indazol-1-ylphenyl)-N-ethylethanamine
SMILESCCNC(C)c1ccc(Br)cc1-n1ncc2ccccc21
InChIInChI=1S/C17H18BrN3/c1-3-19-12(2)15-9-8-14(18)10-17(15)21-16-7-5-4-6-13(16)11-20-21/h4-12,19H,3H2,1-2H3
InChIKeyQKEXUPGIOZPMPO-UHFFFAOYSA-N
XLogP4.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-indazol-1-ylphenyl)-N-methylethanamine
CID 82968624
N-ethyl-1-(3-indazol-1-ylphenyl)ethanamine
CID 79170940
1-(4-bromo-2-indazol-1-ylphenyl)butan-2-amine
CID 63815004
1-[2-(benzotriazol-1-yl)-5-bromophenyl]-N-ethylethanamine
CID 82953722
1-[4-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]-N-ethylethanamine
CID 82968326
1-[1-(2-bromophenyl)-5-methylpyrazol-4-yl]-N-ethylethanamine
CID 61272128
N-[(2-indazol-1-ylphenyl)methyl]propan-2-amine
CID 62141700
N-[1-[4-bromo-2-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 82967842
1-(2-indazol-1-ylphenyl)ethanamine
CID 62139804
1-(4-bromo-2-phenylmethoxyphenyl)-N-ethylethanamine
CID 82976068
1-[4-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]piperazin-1-yl]ethanone
CID 82956361
1-[4-bromo-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-ethylethanamine
CID 102947792

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-indazol-1-ylphenyl)-N-ethylethanamine?
The IUPAC name of 1-(4-bromo-2-indazol-1-ylphenyl)-N-ethylethanamine (CID 82954893) is 1-(4-bromo-2-indazol-1-ylphenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(4-bromo-2-indazol-1-ylphenyl)-N-ethylethanamine?
The canonical SMILES for 1-(4-bromo-2-indazol-1-ylphenyl)-N-ethylethanamine is CCNC(C)c1ccc(Br)cc1-n1ncc2ccccc21.
What is the InChIKey of 1-(4-bromo-2-indazol-1-ylphenyl)-N-ethylethanamine?
The InChIKey is QKEXUPGIOZPMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3/c1-3-19-12(2)15-9-8-14(18)10-17(15)21-16-7-5-4-6-13(16)11-20-21/h4-12,19H,3H2,1-2H3.
What are the key properties of 1-(4-bromo-2-indazol-1-ylphenyl)-N-ethylethanamine?
1-(4-bromo-2-indazol-1-ylphenyl)-N-ethylethanamine has a molecular weight of 344.26 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-indazol-1-ylphenyl)-N-ethylethanamine is sourced from PubChem (CID 82954893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).