N-[[2-(ethoxymethoxy)-3-methylphenyl]methyl]cyclopropanamine

C14H21NO2 — CID 112610024

IUPACN-[[2-(ethoxymethoxy)-3-methylphenyl]methyl]cyclopropanamine
SMILESCCOCOc1c(C)cccc1CNC1CC1
InChIInChI=1S/C14H21NO2/c1-3-16-10-17-14-11(2)5-4-6-12(14)9-15-13-7-8-13/h4-6,13,15H,3,7-10H2,1-2H3
InChIKeyHGSYXDOGDLRBPV-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.62
Rot. Bonds7

About N-[[2-(ethoxymethoxy)-3-methylphenyl]methyl]cyclopropanamine

N-[[2-(ethoxymethoxy)-3-methylphenyl]methyl]cyclopropanamine (PubChem CID 112610024) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[[2-(ethoxymethoxy)-3-methylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(ethoxymethoxy)-3-methylphenyl]methyl]cyclopropanamine
PubChem CID112610024
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[[2-(ethoxymethoxy)-3-methylphenyl]methyl]cyclopropanamine
SMILESCCOCOc1c(C)cccc1CNC1CC1
InChIInChI=1S/C14H21NO2/c1-3-16-10-17-14-11(2)5-4-6-12(14)9-15-13-7-8-13/h4-6,13,15H,3,7-10H2,1-2H3
InChIKeyHGSYXDOGDLRBPV-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(3-ethoxypropoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 112610027
N-[(2-ethoxy-3-methylphenyl)methyl]cyclopentanamine
CID 97179093
N-[[2-(cyclobutylmethoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 112609988
N-[(3-methyl-2-phenylmethoxyphenyl)methyl]cyclopropanamine
CID 112609978
3-[2-[(cyclopropylamino)methyl]-6-methylphenoxy]propane-1,2-diol
CID 112609987
N-[[3-methyl-2-(2-thiophen-2-ylethoxy)phenyl]methyl]cyclopropanamine
CID 115953954
N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]cyclopropanamine
CID 112609975
2-[1-[[2-[(cyclopropylamino)methyl]-6-methylphenoxy]methyl]cyclopropyl]acetonitrile
CID 115953898
N-[[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 115953912
N-[(2-hept-6-enoxy-3-methylphenyl)methyl]cyclopropanamine
CID 107006293
N-[[2-(3,5-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]cyclopropanamine
CID 115953881
N-[[2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methyl]cyclopropanamine
CID 115953990

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethoxy)-3-methylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(ethoxymethoxy)-3-methylphenyl]methyl]cyclopropanamine (CID 112610024) is N-[[2-(ethoxymethoxy)-3-methylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(ethoxymethoxy)-3-methylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(ethoxymethoxy)-3-methylphenyl]methyl]cyclopropanamine is CCOCOc1c(C)cccc1CNC1CC1.
What is the InChIKey of N-[[2-(ethoxymethoxy)-3-methylphenyl]methyl]cyclopropanamine?
The InChIKey is HGSYXDOGDLRBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-16-10-17-14-11(2)5-4-6-12(14)9-15-13-7-8-13/h4-6,13,15H,3,7-10H2,1-2H3.
What are the key properties of N-[[2-(ethoxymethoxy)-3-methylphenyl]methyl]cyclopropanamine?
N-[[2-(ethoxymethoxy)-3-methylphenyl]methyl]cyclopropanamine has a molecular weight of 235.33 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethoxy)-3-methylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 112610024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).