1-(4-methoxy-2-pent-4-ynoxyphenyl)ethanamine

C14H19NO2 — CID 113374151

IUPAC1-(4-methoxy-2-pent-4-ynoxyphenyl)ethanamine
SMILESC#CCCCOc1cc(OC)ccc1C(C)N
InChIInChI=1S/C14H19NO2/c1-4-5-6-9-17-14-10-12(16-3)7-8-13(14)11(2)15/h1,7-8,10-11H,5-6,9,15H2,2-3H3
InChIKeyQLUPAJDFZHTVEM-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.51
Rot. Bonds6

About 1-(4-methoxy-2-pent-4-ynoxyphenyl)ethanamine

1-(4-methoxy-2-pent-4-ynoxyphenyl)ethanamine (PubChem CID 113374151) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(4-methoxy-2-pent-4-ynoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-methoxy-2-pent-4-ynoxyphenyl)ethanamine
PubChem CID113374151
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(4-methoxy-2-pent-4-ynoxyphenyl)ethanamine
SMILESC#CCCCOc1cc(OC)ccc1C(C)N
InChIInChI=1S/C14H19NO2/c1-4-5-6-9-17-14-10-12(16-3)7-8-13(14)11(2)15/h1,7-8,10-11H,5-6,9,15H2,2-3H3
InChIKeyQLUPAJDFZHTVEM-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
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

(1R)-1-[4-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
CID 104647162
1-(2-heptoxy-4-methoxyphenyl)ethanamine
CID 82000462
1-(5-methoxy-2-pent-4-ynoxyphenyl)propan-2-amine
CID 113374413
(1S)-1-(4-methoxy-2-pent-4-enoxyphenyl)ethanamine
CID 82000062
4-[2-(1-aminoethyl)-5-methoxyphenoxy]butan-2-ol
CID 113398869
(1R)-1-(2-but-3-enoxy-4-methoxyphenyl)ethanamine
CID 82001682
1-[4-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine
CID 106450545
(1R)-1-[4-methoxy-2-(2-propan-2-ylsulfanylethoxy)phenyl]ethanamine
CID 114268547
1-(2-but-3-ynoxy-4-methoxyphenyl)propan-2-amine
CID 61269126
4-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]-N,N-dimethylbutanamide
CID 82001215
(1R)-1-(3-methoxy-4-pent-4-ynoxyphenyl)ethanamine
CID 113374141
(1R)-1-[4-methoxy-2-(2-methylbutoxy)phenyl]ethanamine
CID 82000674

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-pent-4-ynoxyphenyl)ethanamine?
The IUPAC name of 1-(4-methoxy-2-pent-4-ynoxyphenyl)ethanamine (CID 113374151) is 1-(4-methoxy-2-pent-4-ynoxyphenyl)ethanamine.
What is the SMILES notation for 1-(4-methoxy-2-pent-4-ynoxyphenyl)ethanamine?
The canonical SMILES for 1-(4-methoxy-2-pent-4-ynoxyphenyl)ethanamine is C#CCCCOc1cc(OC)ccc1C(C)N.
What is the InChIKey of 1-(4-methoxy-2-pent-4-ynoxyphenyl)ethanamine?
The InChIKey is QLUPAJDFZHTVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-5-6-9-17-14-10-12(16-3)7-8-13(14)11(2)15/h1,7-8,10-11H,5-6,9,15H2,2-3H3.
What are the key properties of 1-(4-methoxy-2-pent-4-ynoxyphenyl)ethanamine?
1-(4-methoxy-2-pent-4-ynoxyphenyl)ethanamine has a molecular weight of 233.31 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-pent-4-ynoxyphenyl)ethanamine is sourced from PubChem (CID 113374151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).