2-methoxy-N-[[2-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine

C14H21NO2 — CID 62714428

IUPAC2-methoxy-N-[[2-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine
SMILESCOCCNCC1CC1c1ccccc1OC
InChIInChI=1S/C14H21NO2/c1-16-8-7-15-10-11-9-13(11)12-5-3-4-6-14(12)17-2/h3-6,11,13,15H,7-10H2,1-2H3
InChIKeyPCVZGBKSUFEYHE-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.03
Rot. Bonds7

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

2-methoxy-N-[[2-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine (PubChem CID 62714428) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methoxy-N-[[2-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine
PubChem CID62714428
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-methoxy-N-[[2-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine
SMILESCOCCNCC1CC1c1ccccc1OC
InChIInChI=1S/C14H21NO2/c1-16-8-7-15-10-11-9-13(11)12-5-3-4-6-14(12)17-2/h3-6,11,13,15H,7-10H2,1-2H3
InChIKeyPCVZGBKSUFEYHE-UHFFFAOYSA-N
XLogP2.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.03
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-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine (CID 62714428) is 2-methoxy-N-[[2-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine is COCCNCC1CC1c1ccccc1OC.
What is the InChIKey of 2-methoxy-N-[[2-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine?
The InChIKey is PCVZGBKSUFEYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-16-8-7-15-10-11-9-13(11)12-5-3-4-6-14(12)17-2/h3-6,11,13,15H,7-10H2,1-2H3.
What are the key properties of 2-methoxy-N-[[2-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine?
2-methoxy-N-[[2-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine is sourced from PubChem (CID 62714428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).