1-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]butan-1-amine

C14H19ClN4O — CID 106229422

IUPAC1-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]butan-1-amine
SMILESCCCC(N)c1cn(CCOc2ccccc2Cl)nn1
InChIInChI=1S/C14H19ClN4O/c1-2-5-12(16)13-10-19(18-17-13)8-9-20-14-7-4-3-6-11(14)15/h3-4,6-7,10,12H,2,5,8-9,16H2,1H3
InChIKeyIOBQERVCTHEHSI-UHFFFAOYSA-N
MW294.79 g/mol
LogP2.81
Rot. Bonds7

About 1-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]butan-1-amine

1-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]butan-1-amine (PubChem CID 106229422) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 1-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name1-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]butan-1-amine
PubChem CID106229422
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name1-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]butan-1-amine
SMILESCCCC(N)c1cn(CCOc2ccccc2Cl)nn1
InChIInChI=1S/C14H19ClN4O/c1-2-5-12(16)13-10-19(18-17-13)8-9-20-14-7-4-3-6-11(14)15/h3-4,6-7,10,12H,2,5,8-9,16H2,1H3
InChIKeyIOBQERVCTHEHSI-UHFFFAOYSA-N
XLogP2.81
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[2-(2,4-dichlorophenoxy)ethyl]triazol-4-yl]butan-1-amine
CID 106229546
1-[1-(2-phenylethyl)triazol-4-yl]butan-1-amine
CID 106228757
1-[1-[(3-chloro-2-fluorophenyl)methyl]triazol-4-yl]butan-1-amine
CID 106229491
2-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]ethanol
CID 55066947
4-(2-bromoethyl)-1-[2-(2-chlorophenoxy)ethyl]triazole
CID 62395128
1-[1-[(2-bromophenyl)methyl]triazol-4-yl]butan-1-amine
CID 114161233
4-(1-bromoethyl)-1-[2-(2,6-dichlorophenoxy)ethyl]triazole
CID 81449598
1-[1-[2-(2,4-dichlorophenoxy)ethyl]triazol-4-yl]ethanol
CID 81444223
1-[1-[(2-chloro-3-fluorophenyl)methyl]triazol-4-yl]butan-1-amine
CID 106229222
1-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]-2,2,2-trifluoroethanone
CID 62581074
[1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methanamine
CID 55078167
3-[4-(1-aminobutyl)triazol-1-yl]-N-methylpropanamide
CID 106228612

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]butan-1-amine?
The IUPAC name of 1-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]butan-1-amine (CID 106229422) is 1-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]butan-1-amine.
What is the SMILES notation for 1-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]butan-1-amine?
The canonical SMILES for 1-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]butan-1-amine is CCCC(N)c1cn(CCOc2ccccc2Cl)nn1.
What is the InChIKey of 1-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]butan-1-amine?
The InChIKey is IOBQERVCTHEHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-2-5-12(16)13-10-19(18-17-13)8-9-20-14-7-4-3-6-11(14)15/h3-4,6-7,10,12H,2,5,8-9,16H2,1H3.
What are the key properties of 1-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]butan-1-amine?
1-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]butan-1-amine has a molecular weight of 294.79 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]butan-1-amine is sourced from PubChem (CID 106229422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).