(1R)-1-(2-bromophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine

C17H18BrN3 — CID 81378061

IUPAC(1R)-1-(2-bromophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
SMILESC[C@@H](NCc1nn(C)c2ccccc12)c1ccccc1Br
InChIInChI=1S/C17H18BrN3/c1-12(13-7-3-5-9-15(13)18)19-11-16-14-8-4-6-10-17(14)21(2)20-16/h3-10,12,19H,11H2,1-2H3/t12-/m1/s1
InChIKeyJEWPZNJEGUHDGL-GFCCVEGCSA-N
MW344.26 g/mol
LogP4.19
Rot. Bonds4

About (1R)-1-(2-bromophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine

(1R)-1-(2-bromophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine (PubChem CID 81378061) has the molecular formula C17H18BrN3 and a molecular weight of 344.26 g/mol. Its IUPAC name is (1R)-1-(2-bromophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-bromophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
PubChem CID81378061
Molecular FormulaC17H18BrN3
Molecular Weight344.26 g/mol
Exact Mass343.07
IUPAC Name(1R)-1-(2-bromophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
SMILESC[C@@H](NCc1nn(C)c2ccccc12)c1ccccc1Br
InChIInChI=1S/C17H18BrN3/c1-12(13-7-3-5-9-15(13)18)19-11-16-14-8-4-6-10-17(14)21(2)20-16/h3-10,12,19H,11H2,1-2H3/t12-/m1/s1
InChIKeyJEWPZNJEGUHDGL-GFCCVEGCSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylthiophen-3-yl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 63000435
1-(2,5-dimethylfuran-3-yl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 63001727
(1S)-N-[(1-methylindazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 81349025
(1R)-1-(4-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 81348302
N-[(1-methylindazol-3-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63091933
N-[(1-methylindazol-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 63001054
N-[(1-methylindazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639747
(1R)-1-(3-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 81352245
(2R)-2-[(1-methylindazol-3-yl)methylamino]propanoic acid
CID 83195291
4-methyl-3-[(1-methylindazol-3-yl)methylamino]pentan-1-ol
CID 103701006
(1R)-1-(2-bromophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 81383825
1,1-dicyclopropyl-N-[(1-methylindazol-3-yl)methyl]methanamine
CID 63001612

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(2-bromophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine (CID 81378061) is (1R)-1-(2-bromophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(2-bromophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(2-bromophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine is C[C@@H](NCc1nn(C)c2ccccc12)c1ccccc1Br.
What is the InChIKey of (1R)-1-(2-bromophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine?
The InChIKey is JEWPZNJEGUHDGL-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18BrN3/c1-12(13-7-3-5-9-15(13)18)19-11-16-14-8-4-6-10-17(14)21(2)20-16/h3-10,12,19H,11H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-(2-bromophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine?
(1R)-1-(2-bromophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine has a molecular weight of 344.26 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 81378061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).