2-methoxy-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]ethanamine

C16H25NO2 — CID 62713194

IUPAC2-methoxy-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]ethanamine
SMILESCCCOc1ccc(C2CC2CNCCOC)cc1
InChIInChI=1S/C16H25NO2/c1-3-9-19-15-6-4-13(5-7-15)16-11-14(16)12-17-8-10-18-2/h4-7,14,16-17H,3,8-12H2,1-2H3
InChIKeyGCAVZTRYPWUXJV-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.81
Rot. Bonds9

About 2-methoxy-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]ethanamine

2-methoxy-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]ethanamine (PubChem CID 62713194) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-methoxy-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]ethanamine
PubChem CID62713194
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-methoxy-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]ethanamine
SMILESCCCOc1ccc(C2CC2CNCCOC)cc1
InChIInChI=1S/C16H25NO2/c1-3-9-19-15-6-4-13(5-7-15)16-11-14(16)12-17-8-10-18-2/h4-7,14,16-17H,3,8-12H2,1-2H3
InChIKeyGCAVZTRYPWUXJV-UHFFFAOYSA-N
XLogP2.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]ethanamine (CID 62713194) is 2-methoxy-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]ethanamine is CCCOc1ccc(C2CC2CNCCOC)cc1.
What is the InChIKey of 2-methoxy-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]ethanamine?
The InChIKey is GCAVZTRYPWUXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-9-19-15-6-4-13(5-7-15)16-11-14(16)12-17-8-10-18-2/h4-7,14,16-17H,3,8-12H2,1-2H3.
What are the key properties of 2-methoxy-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]ethanamine?
2-methoxy-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]ethanamine is sourced from PubChem (CID 62713194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).