2-methyl-4-(2-propoxyphenyl)but-3-yn-2-amine

C14H19NO — CID 104660723

IUPAC2-methyl-4-(2-propoxyphenyl)but-3-yn-2-amine
SMILESCCCOc1ccccc1C#CC(C)(C)N
InChIInChI=1S/C14H19NO/c1-4-11-16-13-8-6-5-7-12(13)9-10-14(2,3)15/h5-8H,4,11,15H2,1-3H3
InChIKeyQWGQACSUPACRMY-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.56
Rot. Bonds3

About 2-methyl-4-(2-propoxyphenyl)but-3-yn-2-amine

2-methyl-4-(2-propoxyphenyl)but-3-yn-2-amine (PubChem CID 104660723) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-methyl-4-(2-propoxyphenyl)but-3-yn-2-amine.

Molecular Properties

Compound Name2-methyl-4-(2-propoxyphenyl)but-3-yn-2-amine
PubChem CID104660723
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-methyl-4-(2-propoxyphenyl)but-3-yn-2-amine
SMILESCCCOc1ccccc1C#CC(C)(C)N
InChIInChI=1S/C14H19NO/c1-4-11-16-13-8-6-5-7-12(13)9-10-14(2,3)15/h5-8H,4,11,15H2,1-3H3
InChIKeyQWGQACSUPACRMY-UHFFFAOYSA-N
XLogP2.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-propoxyphenyl)but-3-yn-2-amine?
The IUPAC name of 2-methyl-4-(2-propoxyphenyl)but-3-yn-2-amine (CID 104660723) is 2-methyl-4-(2-propoxyphenyl)but-3-yn-2-amine.
What is the SMILES notation for 2-methyl-4-(2-propoxyphenyl)but-3-yn-2-amine?
The canonical SMILES for 2-methyl-4-(2-propoxyphenyl)but-3-yn-2-amine is CCCOc1ccccc1C#CC(C)(C)N.
What is the InChIKey of 2-methyl-4-(2-propoxyphenyl)but-3-yn-2-amine?
The InChIKey is QWGQACSUPACRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-11-16-13-8-6-5-7-12(13)9-10-14(2,3)15/h5-8H,4,11,15H2,1-3H3.
What are the key properties of 2-methyl-4-(2-propoxyphenyl)but-3-yn-2-amine?
2-methyl-4-(2-propoxyphenyl)but-3-yn-2-amine has a molecular weight of 217.31 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-propoxyphenyl)but-3-yn-2-amine is sourced from PubChem (CID 104660723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).