1-(2-but-3-ynoxy-4-methoxyphenyl)propan-2-amine

C14H19NO2 — CID 61269126

IUPAC1-(2-but-3-ynoxy-4-methoxyphenyl)propan-2-amine
SMILESC#CCCOc1cc(OC)ccc1CC(C)N
InChIInChI=1S/C14H19NO2/c1-4-5-8-17-14-10-13(16-3)7-6-12(14)9-11(2)15/h1,6-7,10-11H,5,8-9,15H2,2-3H3
InChIKeyGZJHKZZQVWZIBX-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.99
Rot. Bonds6

About 1-(2-but-3-ynoxy-4-methoxyphenyl)propan-2-amine

1-(2-but-3-ynoxy-4-methoxyphenyl)propan-2-amine (PubChem CID 61269126) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(2-but-3-ynoxy-4-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-but-3-ynoxy-4-methoxyphenyl)propan-2-amine
PubChem CID61269126
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(2-but-3-ynoxy-4-methoxyphenyl)propan-2-amine
SMILESC#CCCOc1cc(OC)ccc1CC(C)N
InChIInChI=1S/C14H19NO2/c1-4-5-8-17-14-10-13(16-3)7-6-12(14)9-11(2)15/h1,6-7,10-11H,5,8-9,15H2,2-3H3
InChIKeyGZJHKZZQVWZIBX-UHFFFAOYSA-N
XLogP1.99
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-methoxy-2-pent-4-ynoxyphenyl)propan-2-amine
CID 113374413
3-[2-(2-aminopropyl)-5-methoxyphenoxy]propanamide
CID 61269487
1-[4-methoxy-2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine
CID 103411540
1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine
CID 106728377
(2-but-3-ynoxy-5-methoxyphenyl)methanol
CID 43268037
1-(2-butan-2-yloxy-4-methoxyphenyl)propan-2-amine
CID 61269298
1-(4-methoxy-2-pent-4-ynoxyphenyl)ethanamine
CID 113374151
1-[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]propan-2-amine
CID 61269127
1-(2-butoxy-4-propoxyphenyl)propan-2-amine
CID 54930871
1-[2-(2-methoxyethoxy)-4-propoxyphenyl]propan-2-amine
CID 60906244
1-[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
CID 62385912
1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 61269478

Frequently Asked Questions

What is the IUPAC name of 1-(2-but-3-ynoxy-4-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-(2-but-3-ynoxy-4-methoxyphenyl)propan-2-amine (CID 61269126) is 1-(2-but-3-ynoxy-4-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(2-but-3-ynoxy-4-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(2-but-3-ynoxy-4-methoxyphenyl)propan-2-amine is C#CCCOc1cc(OC)ccc1CC(C)N.
What is the InChIKey of 1-(2-but-3-ynoxy-4-methoxyphenyl)propan-2-amine?
The InChIKey is GZJHKZZQVWZIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-5-8-17-14-10-13(16-3)7-6-12(14)9-11(2)15/h1,6-7,10-11H,5,8-9,15H2,2-3H3.
What are the key properties of 1-(2-but-3-ynoxy-4-methoxyphenyl)propan-2-amine?
1-(2-but-3-ynoxy-4-methoxyphenyl)propan-2-amine has a molecular weight of 233.31 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-3-ynoxy-4-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 61269126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).