N-(2-methoxyethyl)-4-(4-methoxyphenoxy)but-2-yn-1-amine

C14H19NO3 — CID 2194708

IUPACN-(2-methoxyethyl)-4-(4-methoxyphenoxy)but-2-yn-1-amine
SMILESCOCCNCC#CCOc1ccc(OC)cc1
InChIInChI=1S/C14H19NO3/c1-16-12-10-15-9-3-4-11-18-14-7-5-13(17-2)6-8-14/h5-8,15H,9-12H2,1-2H3
InChIKeyRJTAILIIHYBAPJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.31
Rot. Bonds7

About N-(2-methoxyethyl)-4-(4-methoxyphenoxy)but-2-yn-1-amine

N-(2-methoxyethyl)-4-(4-methoxyphenoxy)but-2-yn-1-amine (PubChem CID 2194708) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(4-methoxyphenoxy)but-2-yn-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(4-methoxyphenoxy)but-2-yn-1-amine
PubChem CID2194708
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-(2-methoxyethyl)-4-(4-methoxyphenoxy)but-2-yn-1-amine
SMILESCOCCNCC#CCOc1ccc(OC)cc1
InChIInChI=1S/C14H19NO3/c1-16-12-10-15-9-3-4-11-18-14-7-5-13(17-2)6-8-14/h5-8,15H,9-12H2,1-2H3
InChIKeyRJTAILIIHYBAPJ-UHFFFAOYSA-N
XLogP1.31
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(4-methoxyphenoxy)but-2-yn-1-amine?
The IUPAC name of N-(2-methoxyethyl)-4-(4-methoxyphenoxy)but-2-yn-1-amine (CID 2194708) is N-(2-methoxyethyl)-4-(4-methoxyphenoxy)but-2-yn-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-(4-methoxyphenoxy)but-2-yn-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-(4-methoxyphenoxy)but-2-yn-1-amine is COCCNCC#CCOc1ccc(OC)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-(4-methoxyphenoxy)but-2-yn-1-amine?
The InChIKey is RJTAILIIHYBAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-16-12-10-15-9-3-4-11-18-14-7-5-13(17-2)6-8-14/h5-8,15H,9-12H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-4-(4-methoxyphenoxy)but-2-yn-1-amine?
N-(2-methoxyethyl)-4-(4-methoxyphenoxy)but-2-yn-1-amine has a molecular weight of 249.31 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(4-methoxyphenoxy)but-2-yn-1-amine is sourced from PubChem (CID 2194708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).