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

C16H16BrN3O — CID 43790611

IUPACN-[1-(3-bromo-4-methoxyphenyl)ethyl]-1H-indazol-6-amine
SMILESCOc1ccc(C(C)Nc2ccc3cn[nH]c3c2)cc1Br
InChIInChI=1S/C16H16BrN3O/c1-10(11-4-6-16(21-2)14(17)7-11)19-13-5-3-12-9-18-20-15(12)8-13/h3-10,19H,1-2H3,(H,18,20)
InChIKeyVXQWYJOYNQJGCG-UHFFFAOYSA-N
MW346.23 g/mol
LogP4.51
Rot. Bonds4

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

N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1H-indazol-6-amine (PubChem CID 43790611) has the molecular formula C16H16BrN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1H-indazol-6-amine.

Molecular Properties

Compound NameN-[1-(3-bromo-4-methoxyphenyl)ethyl]-1H-indazol-6-amine
PubChem CID43790611
Molecular FormulaC16H16BrN3O
Molecular Weight346.23 g/mol
Exact Mass345.05
IUPAC NameN-[1-(3-bromo-4-methoxyphenyl)ethyl]-1H-indazol-6-amine
SMILESCOc1ccc(C(C)Nc2ccc3cn[nH]c3c2)cc1Br
InChIInChI=1S/C16H16BrN3O/c1-10(11-4-6-16(21-2)14(17)7-11)19-13-5-3-12-9-18-20-15(12)8-13/h3-10,19H,1-2H3,(H,18,20)
InChIKeyVXQWYJOYNQJGCG-UHFFFAOYSA-N
XLogP4.51
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-[1-(3-bromo-4-methoxyphenyl)ethyl]aniline
CID 43756086
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3,5-dimethylaniline
CID 43763980
N-[1-(4-bromothiophen-2-yl)ethyl]-1H-indazol-6-amine
CID 107354219
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-chloro-4-fluoroaniline
CID 43772388
4-[1-(3-bromo-4-methoxyphenyl)ethylamino]benzoic acid
CID 43774326
4-bromo-3-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]aniline
CID 114265813
N-[1-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxyaniline
CID 46021712
1-(3-bromo-4-methoxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 54881812
1-(3-bromo-4-methoxyphenyl)ethylhydrazine
CID 82478801
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 107648855
N-[1-(2,4-difluorophenyl)ethyl]-1H-indazol-6-amine
CID 43743449
N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazol-6-amine
CID 43743466

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1H-indazol-6-amine?
The IUPAC name of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1H-indazol-6-amine (CID 43790611) is N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1H-indazol-6-amine.
What is the SMILES notation for N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1H-indazol-6-amine?
The canonical SMILES for N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1H-indazol-6-amine is COc1ccc(C(C)Nc2ccc3cn[nH]c3c2)cc1Br.
What is the InChIKey of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1H-indazol-6-amine?
The InChIKey is VXQWYJOYNQJGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O/c1-10(11-4-6-16(21-2)14(17)7-11)19-13-5-3-12-9-18-20-15(12)8-13/h3-10,19H,1-2H3,(H,18,20).
What are the key properties of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1H-indazol-6-amine?
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1H-indazol-6-amine has a molecular weight of 346.23 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1H-indazol-6-amine is sourced from PubChem (CID 43790611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).