[1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methanamine

C11H12Cl2N4O — CID 55078167

IUPAC[1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methanamine
SMILESNCc1cn(CCOc2cccc(Cl)c2Cl)nn1
InChIInChI=1S/C11H12Cl2N4O/c12-9-2-1-3-10(11(9)13)18-5-4-17-7-8(6-14)15-16-17/h1-3,7H,4-6,14H2
InChIKeyGKVVFVJPFXYWTF-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.12
Rot. Bonds5

About [1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methanamine

[1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methanamine (PubChem CID 55078167) has the molecular formula C11H12Cl2N4O and a molecular weight of 287.15 g/mol. Its IUPAC name is [1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methanamine
PubChem CID55078167
Molecular FormulaC11H12Cl2N4O
Molecular Weight287.15 g/mol
Exact Mass286.04
IUPAC Name[1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methanamine
SMILESNCc1cn(CCOc2cccc(Cl)c2Cl)nn1
InChIInChI=1S/C11H12Cl2N4O/c12-9-2-1-3-10(11(9)13)18-5-4-17-7-8(6-14)15-16-17/h1-3,7H,4-6,14H2
InChIKeyGKVVFVJPFXYWTF-UHFFFAOYSA-N
XLogP2.12
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62451969
[1-[2-(2-fluoro-3-methylphenoxy)ethyl]triazol-4-yl]methanamine
CID 107661287
2-[1-[2-(2,6-dichlorophenoxy)ethyl]triazol-4-yl]ethanamine
CID 116642379
2-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]ethanol
CID 55066947
4-(2-bromoethyl)-1-[2-(2-chlorophenoxy)ethyl]triazole
CID 62395128
1-[2-[2-[4-(aminomethyl)triazol-1-yl]ethoxy]phenyl]ethanone
CID 62055303
4-(bromomethyl)-1-[2-(2,6-dichlorophenoxy)ethyl]triazole
CID 62402131
4-(chloromethyl)-1-[2-(2-methylphenoxy)ethyl]triazole
CID 62401566
[1-[2-(2-bromo-4-methoxyphenoxy)ethyl]triazol-4-yl]methanamine
CID 104708429
[1-[2-(1-bromonaphthalen-2-yl)oxyethyl]triazol-4-yl]methanamine
CID 62486309
2-[1-[2-(2-ethoxyphenoxy)ethyl]triazol-4-yl]ethanamine
CID 116642246
[2-chloro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine
CID 113276561

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methanamine (CID 55078167) is [1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methanamine is NCc1cn(CCOc2cccc(Cl)c2Cl)nn1.
What is the InChIKey of [1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methanamine?
The InChIKey is GKVVFVJPFXYWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N4O/c12-9-2-1-3-10(11(9)13)18-5-4-17-7-8(6-14)15-16-17/h1-3,7H,4-6,14H2.
What are the key properties of [1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methanamine?
[1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methanamine has a molecular weight of 287.15 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methanamine is sourced from PubChem (CID 55078167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).