1-(5-methoxy-2-pent-4-ynoxyphenyl)propan-2-amine

C15H21NO2 — CID 113374413

IUPAC1-(5-methoxy-2-pent-4-ynoxyphenyl)propan-2-amine
SMILESC#CCCCOc1ccc(OC)cc1CC(C)N
InChIInChI=1S/C15H21NO2/c1-4-5-6-9-18-15-8-7-14(17-3)11-13(15)10-12(2)16/h1,7-8,11-12H,5-6,9-10,16H2,2-3H3
InChIKeyADJNHOFCXQRXCL-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.38
Rot. Bonds7

About 1-(5-methoxy-2-pent-4-ynoxyphenyl)propan-2-amine

1-(5-methoxy-2-pent-4-ynoxyphenyl)propan-2-amine (PubChem CID 113374413) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(5-methoxy-2-pent-4-ynoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-methoxy-2-pent-4-ynoxyphenyl)propan-2-amine
PubChem CID113374413
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(5-methoxy-2-pent-4-ynoxyphenyl)propan-2-amine
SMILESC#CCCCOc1ccc(OC)cc1CC(C)N
InChIInChI=1S/C15H21NO2/c1-4-5-6-9-18-15-8-7-14(17-3)11-13(15)10-12(2)16/h1,7-8,11-12H,5-6,9-10,16H2,2-3H3
InChIKeyADJNHOFCXQRXCL-UHFFFAOYSA-N
XLogP2.38
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.38
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-(2-but-3-ynoxy-4-methoxyphenyl)propan-2-amine
CID 61269126
1-(4-methoxy-2-pent-4-ynoxyphenyl)ethanamine
CID 113374151
1-[5-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine
CID 60905233
(2-but-3-ynoxy-5-methoxyphenyl)methanol
CID 43268037
1-[2-(ethoxymethoxy)-5-methoxyphenyl]propan-2-amine
CID 65369886
1-[5-methoxy-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine
CID 106728338
(1R)-1-(3-methoxy-4-pent-4-ynoxyphenyl)ethanamine
CID 113374141
methyl 2-[2-(2-aminopropyl)-4-methoxyphenoxy]acetate
CID 54930741
1-(5-fluoro-2-pent-4-ynoxyphenyl)butan-2-amine
CID 107701484
3-[2-(2-aminopropyl)-4-methoxyphenoxy]-N-ethylpropanamide
CID 62325762
4-[2-(hydroxymethyl)-4-methoxyphenoxy]butanenitrile
CID 43267979
4-[4-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]butanenitrile
CID 60878158

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2-pent-4-ynoxyphenyl)propan-2-amine?
The IUPAC name of 1-(5-methoxy-2-pent-4-ynoxyphenyl)propan-2-amine (CID 113374413) is 1-(5-methoxy-2-pent-4-ynoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(5-methoxy-2-pent-4-ynoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(5-methoxy-2-pent-4-ynoxyphenyl)propan-2-amine is C#CCCCOc1ccc(OC)cc1CC(C)N.
What is the InChIKey of 1-(5-methoxy-2-pent-4-ynoxyphenyl)propan-2-amine?
The InChIKey is ADJNHOFCXQRXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-5-6-9-18-15-8-7-14(17-3)11-13(15)10-12(2)16/h1,7-8,11-12H,5-6,9-10,16H2,2-3H3.
What are the key properties of 1-(5-methoxy-2-pent-4-ynoxyphenyl)propan-2-amine?
1-(5-methoxy-2-pent-4-ynoxyphenyl)propan-2-amine has a molecular weight of 247.34 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2-pent-4-ynoxyphenyl)propan-2-amine is sourced from PubChem (CID 113374413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).