N-[(3-bromo-4-methoxyphenyl)methyl]-1H-indazol-6-amine

C15H14BrN3O — CID 783775

IUPACN-[(3-bromo-4-methoxyphenyl)methyl]-1H-indazol-6-amine
SMILESCOc1ccc(CNc2ccc3cn[nH]c3c2)cc1Br
InChIInChI=1S/C15H14BrN3O/c1-20-15-5-2-10(6-13(15)16)8-17-12-4-3-11-9-18-19-14(11)7-12/h2-7,9,17H,8H2,1H3,(H,18,19)
InChIKeyHTMXNWYZPPBIGL-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.95
Rot. Bonds4

About N-[(3-bromo-4-methoxyphenyl)methyl]-1H-indazol-6-amine

N-[(3-bromo-4-methoxyphenyl)methyl]-1H-indazol-6-amine (PubChem CID 783775) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is N-[(3-bromo-4-methoxyphenyl)methyl]-1H-indazol-6-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-methoxyphenyl)methyl]-1H-indazol-6-amine
PubChem CID783775
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC NameN-[(3-bromo-4-methoxyphenyl)methyl]-1H-indazol-6-amine
SMILESCOc1ccc(CNc2ccc3cn[nH]c3c2)cc1Br
InChIInChI=1S/C15H14BrN3O/c1-20-15-5-2-10(6-13(15)16)8-17-12-4-3-11-9-18-19-14(11)7-12/h2-7,9,17H,8H2,1H3,(H,18,19)
InChIKeyHTMXNWYZPPBIGL-UHFFFAOYSA-N
XLogP3.95
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]phenol
CID 132528948
5-Bromo-6-methoxy-1H-indazole
CID 15278593
N-(3-ethoxy-4-methoxybenzyl)-1H-indazol-6-amine
CID 784380
N-(1,3-benzodioxol-5-ylmethyl)-6-bromo-1H-indazol-4-amine
CID 146669427
4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-fluorophenol
CID 146669487
4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-2-methylphenol
CID 146669488
4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]-3-fluorophenol
CID 146669496
4-{[(2H-indazol-6-yl)amino]methyl}phenol
CID 4368895
1-(3-bromo-4-methoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43734084
N-[(4-methoxyphenyl)methyl]-1,3-dimethylindazol-6-amine
CID 172450789
Cambridge id 5452187
CID 2846239
N-[(4-methoxy-3-methylphenyl)methyl]-1H-indazol-5-amine
CID 3800069

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methoxyphenyl)methyl]-1H-indazol-6-amine?
The IUPAC name of N-[(3-bromo-4-methoxyphenyl)methyl]-1H-indazol-6-amine (CID 783775) is N-[(3-bromo-4-methoxyphenyl)methyl]-1H-indazol-6-amine.
What is the SMILES notation for N-[(3-bromo-4-methoxyphenyl)methyl]-1H-indazol-6-amine?
The canonical SMILES for N-[(3-bromo-4-methoxyphenyl)methyl]-1H-indazol-6-amine is COc1ccc(CNc2ccc3cn[nH]c3c2)cc1Br.
What is the InChIKey of N-[(3-bromo-4-methoxyphenyl)methyl]-1H-indazol-6-amine?
The InChIKey is HTMXNWYZPPBIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-20-15-5-2-10(6-13(15)16)8-17-12-4-3-11-9-18-19-14(11)7-12/h2-7,9,17H,8H2,1H3,(H,18,19).
What are the key properties of N-[(3-bromo-4-methoxyphenyl)methyl]-1H-indazol-6-amine?
N-[(3-bromo-4-methoxyphenyl)methyl]-1H-indazol-6-amine has a molecular weight of 332.20 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methoxyphenyl)methyl]-1H-indazol-6-amine is sourced from PubChem (CID 783775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).