N-(2-methoxyethyl)-3-(3-phenyltriazol-4-yl)propan-1-amine

C14H20N4O — CID 114690353

IUPACN-(2-methoxyethyl)-3-(3-phenyltriazol-4-yl)propan-1-amine
SMILESCOCCNCCCc1cnnn1-c1ccccc1
InChIInChI=1S/C14H20N4O/c1-19-11-10-15-9-5-8-14-12-16-17-18(14)13-6-3-2-4-7-13/h2-4,6-7,12,15H,5,8-11H2,1H3
InChIKeyDWDIYRHNQMYKAI-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.44
Rot. Bonds8

About N-(2-methoxyethyl)-3-(3-phenyltriazol-4-yl)propan-1-amine

N-(2-methoxyethyl)-3-(3-phenyltriazol-4-yl)propan-1-amine (PubChem CID 114690353) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(3-phenyltriazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(3-phenyltriazol-4-yl)propan-1-amine
PubChem CID114690353
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-(2-methoxyethyl)-3-(3-phenyltriazol-4-yl)propan-1-amine
SMILESCOCCNCCCc1cnnn1-c1ccccc1
InChIInChI=1S/C14H20N4O/c1-19-11-10-15-9-5-8-14-12-16-17-18(14)13-6-3-2-4-7-13/h2-4,6-7,12,15H,5,8-11H2,1H3
InChIKeyDWDIYRHNQMYKAI-UHFFFAOYSA-N
XLogP1.44
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-phenyltriazol-4-yl)methyl]propan-1-amine
CID 114687766
2-(3-phenyltriazol-4-yl)ethanol
CID 24754561
2-(3-phenyltriazol-4-yl)ethanamine
CID 82200310
N-(2-methoxyethyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
CID 62578744
3-[3-(4-fluorophenyl)triazol-4-yl]-N-methylpropan-1-amine
CID 117167403
3-[3-(3-chlorophenyl)triazol-4-yl]-N-methylpropan-1-amine
CID 117167278
2-(3-phenyltriazol-4-yl)acetaldehyde
CID 114690061
4-methyl-1-(3-phenyltriazol-4-yl)-N-propylpentan-3-amine
CID 114690410
1-(3-phenyltriazol-4-yl)pentan-3-ol
CID 114690535
N-(2-methoxyethyl)-2-(3-propyltriazol-4-yl)ethanamine
CID 114690126
5-(3-chloro-4-methylpentyl)-1-phenyltriazole
CID 114690591
N-(3-methoxypropyl)-3-phenylpropan-1-amine
CID 28674385

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(3-phenyltriazol-4-yl)propan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(3-phenyltriazol-4-yl)propan-1-amine (CID 114690353) is N-(2-methoxyethyl)-3-(3-phenyltriazol-4-yl)propan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(3-phenyltriazol-4-yl)propan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(3-phenyltriazol-4-yl)propan-1-amine is COCCNCCCc1cnnn1-c1ccccc1.
What is the InChIKey of N-(2-methoxyethyl)-3-(3-phenyltriazol-4-yl)propan-1-amine?
The InChIKey is DWDIYRHNQMYKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-19-11-10-15-9-5-8-14-12-16-17-18(14)13-6-3-2-4-7-13/h2-4,6-7,12,15H,5,8-11H2,1H3.
What are the key properties of N-(2-methoxyethyl)-3-(3-phenyltriazol-4-yl)propan-1-amine?
N-(2-methoxyethyl)-3-(3-phenyltriazol-4-yl)propan-1-amine has a molecular weight of 260.34 g/mol, XLogP of 1.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(3-phenyltriazol-4-yl)propan-1-amine is sourced from PubChem (CID 114690353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).