2-(2-pent-3-ynoxy-4-propoxyphenyl)ethanamine

C16H23NO2 — CID 104807530

IUPAC2-(2-pent-3-ynoxy-4-propoxyphenyl)ethanamine
SMILESCC#CCCOc1cc(OCCC)ccc1CCN
InChIInChI=1S/C16H23NO2/c1-3-5-6-12-19-16-13-15(18-11-4-2)8-7-14(16)9-10-17/h7-8,13H,4,6,9-12,17H2,1-2H3
InChIKeyUBRQNHIXKIQPQT-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.77
Rot. Bonds8

About 2-(2-pent-3-ynoxy-4-propoxyphenyl)ethanamine

2-(2-pent-3-ynoxy-4-propoxyphenyl)ethanamine (PubChem CID 104807530) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-(2-pent-3-ynoxy-4-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-pent-3-ynoxy-4-propoxyphenyl)ethanamine
PubChem CID104807530
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name2-(2-pent-3-ynoxy-4-propoxyphenyl)ethanamine
SMILESCC#CCCOc1cc(OCCC)ccc1CCN
InChIInChI=1S/C16H23NO2/c1-3-5-6-12-19-16-13-15(18-11-4-2)8-7-14(16)9-10-17/h7-8,13H,4,6,9-12,17H2,1-2H3
InChIKeyUBRQNHIXKIQPQT-UHFFFAOYSA-N
XLogP2.77
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.77
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

(2-but-2-ynoxy-4-propoxyphenyl)methanamine
CID 55057837
3-[2-(2-aminoethyl)-5-propoxyphenoxy]-N,N-dimethylpropan-1-amine
CID 114526282
2-[2-(2-methylpropoxy)-4-propoxyphenyl]ethanamine
CID 60905266
(2-butoxy-4-propoxyphenyl)methanamine
CID 43472095
2-[2-(2-aminoethyl)-5-propoxyphenoxy]acetamide
CID 54931076
methyl 4-[2-(2-aminoethyl)-5-propoxyphenoxy]butanoate
CID 60905380
2-(2-butoxy-4-methoxyphenyl)ethanamine
CID 20985365
(2-octoxy-4-propoxyphenyl)methanamine
CID 43472093
2-[2-(2-aminoethyl)-5-propoxyphenoxy]-N-(cyanomethyl)acetamide
CID 60905856
1-(2-but-2-ynoxy-4-propoxyphenyl)propan-2-amine
CID 62311403
2-(2-but-3-en-2-yloxy-4-propoxyphenyl)ethanamine
CID 62383803
2-[2-[(5-bromothiophen-2-yl)methoxy]-4-propoxyphenyl]ethanamine
CID 60905963

Frequently Asked Questions

What is the IUPAC name of 2-(2-pent-3-ynoxy-4-propoxyphenyl)ethanamine?
The IUPAC name of 2-(2-pent-3-ynoxy-4-propoxyphenyl)ethanamine (CID 104807530) is 2-(2-pent-3-ynoxy-4-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2-pent-3-ynoxy-4-propoxyphenyl)ethanamine?
The canonical SMILES for 2-(2-pent-3-ynoxy-4-propoxyphenyl)ethanamine is CC#CCCOc1cc(OCCC)ccc1CCN.
What is the InChIKey of 2-(2-pent-3-ynoxy-4-propoxyphenyl)ethanamine?
The InChIKey is UBRQNHIXKIQPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-5-6-12-19-16-13-15(18-11-4-2)8-7-14(16)9-10-17/h7-8,13H,4,6,9-12,17H2,1-2H3.
What are the key properties of 2-(2-pent-3-ynoxy-4-propoxyphenyl)ethanamine?
2-(2-pent-3-ynoxy-4-propoxyphenyl)ethanamine has a molecular weight of 261.36 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pent-3-ynoxy-4-propoxyphenyl)ethanamine is sourced from PubChem (CID 104807530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).