[1-[2-(1-bromonaphthalen-2-yl)oxyethyl]triazol-4-yl]methanamine

C15H15BrN4O — CID 62486309

IUPAC[1-[2-(1-bromonaphthalen-2-yl)oxyethyl]triazol-4-yl]methanamine
SMILESNCc1cn(CCOc2ccc3ccccc3c2Br)nn1
InChIInChI=1S/C15H15BrN4O/c16-15-13-4-2-1-3-11(13)5-6-14(15)21-8-7-20-10-12(9-17)18-19-20/h1-6,10H,7-9,17H2
InChIKeyJAGAZFUBPGWVNB-UHFFFAOYSA-N
MW347.22 g/mol
LogP2.73
Rot. Bonds5

About [1-[2-(1-bromonaphthalen-2-yl)oxyethyl]triazol-4-yl]methanamine

[1-[2-(1-bromonaphthalen-2-yl)oxyethyl]triazol-4-yl]methanamine (PubChem CID 62486309) has the molecular formula C15H15BrN4O and a molecular weight of 347.22 g/mol. Its IUPAC name is [1-[2-(1-bromonaphthalen-2-yl)oxyethyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(1-bromonaphthalen-2-yl)oxyethyl]triazol-4-yl]methanamine
PubChem CID62486309
Molecular FormulaC15H15BrN4O
Molecular Weight347.22 g/mol
Exact Mass346.04
IUPAC Name[1-[2-(1-bromonaphthalen-2-yl)oxyethyl]triazol-4-yl]methanamine
SMILESNCc1cn(CCOc2ccc3ccccc3c2Br)nn1
InChIInChI=1S/C15H15BrN4O/c16-15-13-4-2-1-3-11(13)5-6-14(15)21-8-7-20-10-12(9-17)18-19-20/h1-6,10H,7-9,17H2
InChIKeyJAGAZFUBPGWVNB-UHFFFAOYSA-N
XLogP2.73
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[2-(2-bromo-4-methoxyphenoxy)ethyl]triazol-4-yl]methanamine
CID 104708429
[1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methanamine
CID 55078167
1-[2-[2-[4-(aminomethyl)triazol-1-yl]ethoxy]phenyl]ethanone
CID 62055303
[1-[2-(2-fluoro-3-methylphenoxy)ethyl]triazol-4-yl]methanamine
CID 107661287
1-[2-(1-bromonaphthalen-2-yl)oxyethyl]piperidine
CID 63529278
[1-(2-phenylmethoxyethyl)triazol-4-yl]methanamine
CID 62444449
[1-[2-(2-phenoxyethoxy)ethyl]triazol-4-yl]methanamine
CID 62455620
2-[1-[2-(2-ethoxyphenoxy)ethyl]triazol-4-yl]ethanamine
CID 116642246
1-[2-(1-bromonaphthalen-2-yl)oxyethyl]-2-methylimidazole
CID 61493455
1-[2-[2-(1-bromonaphthalen-2-yl)oxyethoxy]ethyl]-1,2,4-triazole
CID 2199831
[1-(2-fluoroethyl)triazol-4-yl]methanamine
CID 80694161
4-(2-bromoethyl)-1-[2-(2-chlorophenoxy)ethyl]triazole
CID 62395128

Frequently Asked Questions

What is the IUPAC name of [1-[2-(1-bromonaphthalen-2-yl)oxyethyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[2-(1-bromonaphthalen-2-yl)oxyethyl]triazol-4-yl]methanamine (CID 62486309) is [1-[2-(1-bromonaphthalen-2-yl)oxyethyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[2-(1-bromonaphthalen-2-yl)oxyethyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[2-(1-bromonaphthalen-2-yl)oxyethyl]triazol-4-yl]methanamine is NCc1cn(CCOc2ccc3ccccc3c2Br)nn1.
What is the InChIKey of [1-[2-(1-bromonaphthalen-2-yl)oxyethyl]triazol-4-yl]methanamine?
The InChIKey is JAGAZFUBPGWVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O/c16-15-13-4-2-1-3-11(13)5-6-14(15)21-8-7-20-10-12(9-17)18-19-20/h1-6,10H,7-9,17H2.
What are the key properties of [1-[2-(1-bromonaphthalen-2-yl)oxyethyl]triazol-4-yl]methanamine?
[1-[2-(1-bromonaphthalen-2-yl)oxyethyl]triazol-4-yl]methanamine has a molecular weight of 347.22 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1-bromonaphthalen-2-yl)oxyethyl]triazol-4-yl]methanamine is sourced from PubChem (CID 62486309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).