2-methoxy-N-[[1-(3-methylphenoxy)cyclopropyl]methyl]ethanamine

C14H21NO2 — CID 114199465

IUPAC2-methoxy-N-[[1-(3-methylphenoxy)cyclopropyl]methyl]ethanamine
SMILESCOCCNCC1(Oc2cccc(C)c2)CC1
InChIInChI=1S/C14H21NO2/c1-12-4-3-5-13(10-12)17-14(6-7-14)11-15-8-9-16-2/h3-5,10,15H,6-9,11H2,1-2H3
InChIKeyWEEHJWLOSFSQAG-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.14
Rot. Bonds7

About 2-methoxy-N-[[1-(3-methylphenoxy)cyclopropyl]methyl]ethanamine

2-methoxy-N-[[1-(3-methylphenoxy)cyclopropyl]methyl]ethanamine (PubChem CID 114199465) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(3-methylphenoxy)cyclopropyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(3-methylphenoxy)cyclopropyl]methyl]ethanamine
PubChem CID114199465
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-methoxy-N-[[1-(3-methylphenoxy)cyclopropyl]methyl]ethanamine
SMILESCOCCNCC1(Oc2cccc(C)c2)CC1
InChIInChI=1S/C14H21NO2/c1-12-4-3-5-13(10-12)17-14(6-7-14)11-15-8-9-16-2/h3-5,10,15H,6-9,11H2,1-2H3
InChIKeyWEEHJWLOSFSQAG-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
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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Related Compounds

N-[[1-(3-bromophenoxy)cyclopropyl]methyl]-2-methoxyethanamine
CID 114199468
N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methoxyethanamine
CID 114199476
N-[[1-(2,3-dimethylphenoxy)cyclopropyl]methyl]-2-methoxyethanamine
CID 114199443
[1-(3-methylphenoxy)cyclopropyl]methanamine
CID 83920734
N-[[3-ethyl-1-(3-methylphenyl)cyclobutyl]methyl]-2-methoxyethanamine
CID 64998082
N-[[1-(3-methoxyphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199444
3-(2-methoxyethoxy)-N-[2-(3-methylphenoxy)ethyl]propan-1-amine
CID 103605684
1-(3-methylphenoxy)cyclobutan-1-amine
CID 46835645
N-(2-methoxyethyl)-2-[2-(3-methylphenoxy)ethylamino]acetamide
CID 54940682
N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199475
N-[[1-(3,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199461
2-methoxy-N-[[6-(3-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 80636206

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(3-methylphenoxy)cyclopropyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(3-methylphenoxy)cyclopropyl]methyl]ethanamine (CID 114199465) is 2-methoxy-N-[[1-(3-methylphenoxy)cyclopropyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(3-methylphenoxy)cyclopropyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(3-methylphenoxy)cyclopropyl]methyl]ethanamine is COCCNCC1(Oc2cccc(C)c2)CC1.
What is the InChIKey of 2-methoxy-N-[[1-(3-methylphenoxy)cyclopropyl]methyl]ethanamine?
The InChIKey is WEEHJWLOSFSQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-12-4-3-5-13(10-12)17-14(6-7-14)11-15-8-9-16-2/h3-5,10,15H,6-9,11H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-(3-methylphenoxy)cyclopropyl]methyl]ethanamine?
2-methoxy-N-[[1-(3-methylphenoxy)cyclopropyl]methyl]ethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(3-methylphenoxy)cyclopropyl]methyl]ethanamine is sourced from PubChem (CID 114199465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).