1-[3-bromo-4-(indazol-1-ylmethyl)phenyl]-N-methylmethanamine

C16H16BrN3 — CID 102772080

IUPAC1-[3-bromo-4-(indazol-1-ylmethyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Cn2ncc3ccccc32)c(Br)c1
InChIInChI=1S/C16H16BrN3/c1-18-9-12-6-7-14(15(17)8-12)11-20-16-5-3-2-4-13(16)10-19-20/h2-8,10,18H,9,11H2,1H3
InChIKeyFGGJVLKKIVGQTE-UHFFFAOYSA-N
MW330.23 g/mol
LogP3.57
Rot. Bonds4

About 1-[3-bromo-4-(indazol-1-ylmethyl)phenyl]-N-methylmethanamine

1-[3-bromo-4-(indazol-1-ylmethyl)phenyl]-N-methylmethanamine (PubChem CID 102772080) has the molecular formula C16H16BrN3 and a molecular weight of 330.23 g/mol. Its IUPAC name is 1-[3-bromo-4-(indazol-1-ylmethyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-bromo-4-(indazol-1-ylmethyl)phenyl]-N-methylmethanamine
PubChem CID102772080
Molecular FormulaC16H16BrN3
Molecular Weight330.23 g/mol
Exact Mass329.05
IUPAC Name1-[3-bromo-4-(indazol-1-ylmethyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Cn2ncc3ccccc32)c(Br)c1
InChIInChI=1S/C16H16BrN3/c1-18-9-12-6-7-14(15(17)8-12)11-20-16-5-3-2-4-13(16)10-19-20/h2-8,10,18H,9,11H2,1H3
InChIKeyFGGJVLKKIVGQTE-UHFFFAOYSA-N
XLogP3.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromo-4-methoxyphenyl)methyl]indazole
CID 62140207
N-[[4-(indazol-1-ylmethyl)phenyl]methyl]propan-2-amine
CID 62449389
1-[3-bromo-4-(imidazol-1-ylmethyl)phenyl]-N-methylmethanamine
CID 102772106
1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 62730652
1-[3-bromo-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]-N-methylmethanamine
CID 102769052
1-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]indazole
CID 137397184
1-[3-bromo-4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 102771028
3-(indazol-1-ylmethyl)-2-methylaniline
CID 62141477
N-methyl-1-(1-methylindazol-5-yl)methanamine
CID 82598913
4-(indazol-1-ylmethyl)-2-methoxybenzonitrile
CID 106788410
1-[3-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]-N-methylmethanamine
CID 102772183
5-(indazol-1-ylmethyl)-2-methoxybenzonitrile
CID 65344079

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(indazol-1-ylmethyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-bromo-4-(indazol-1-ylmethyl)phenyl]-N-methylmethanamine (CID 102772080) is 1-[3-bromo-4-(indazol-1-ylmethyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-bromo-4-(indazol-1-ylmethyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-bromo-4-(indazol-1-ylmethyl)phenyl]-N-methylmethanamine is CNCc1ccc(Cn2ncc3ccccc32)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-(indazol-1-ylmethyl)phenyl]-N-methylmethanamine?
The InChIKey is FGGJVLKKIVGQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3/c1-18-9-12-6-7-14(15(17)8-12)11-20-16-5-3-2-4-13(16)10-19-20/h2-8,10,18H,9,11H2,1H3.
What are the key properties of 1-[3-bromo-4-(indazol-1-ylmethyl)phenyl]-N-methylmethanamine?
1-[3-bromo-4-(indazol-1-ylmethyl)phenyl]-N-methylmethanamine has a molecular weight of 330.23 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(indazol-1-ylmethyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 102772080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).