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

C16H25NO2 — CID 112610027

IUPACN-[[2-(3-ethoxypropoxy)-3-methylphenyl]methyl]cyclopropanamine
SMILESCCOCCCOc1c(C)cccc1CNC1CC1
InChIInChI=1S/C16H25NO2/c1-3-18-10-5-11-19-16-13(2)6-4-7-14(16)12-17-15-8-9-15/h4,6-7,15,17H,3,5,8-12H2,1-2H3
InChIKeyQYUHVODEKYPVKO-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.05
Rot. Bonds9

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

N-[[2-(3-ethoxypropoxy)-3-methylphenyl]methyl]cyclopropanamine (PubChem CID 112610027) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[2-(3-ethoxypropoxy)-3-methylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-ethoxypropoxy)-3-methylphenyl]methyl]cyclopropanamine
PubChem CID112610027
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[[2-(3-ethoxypropoxy)-3-methylphenyl]methyl]cyclopropanamine
SMILESCCOCCCOc1c(C)cccc1CNC1CC1
InChIInChI=1S/C16H25NO2/c1-3-18-10-5-11-19-16-13(2)6-4-7-14(16)12-17-15-8-9-15/h4,6-7,15,17H,3,5,8-12H2,1-2H3
InChIKeyQYUHVODEKYPVKO-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
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-[[2-(ethoxymethoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 112610024
N-[(2-ethoxy-3-methylphenyl)methyl]cyclopentanamine
CID 97179093
N-[(2-hept-6-enoxy-3-methylphenyl)methyl]cyclopropanamine
CID 107006293
N-[[3-methyl-2-(2-thiophen-2-ylethoxy)phenyl]methyl]cyclopropanamine
CID 115953954
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-[(2-butoxy-3-fluorophenyl)methyl]cyclopropanamine
CID 112609819
N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]cyclopropanamine
CID 112609975
N-[[3-fluoro-2-(2-propoxyethoxy)phenyl]methyl]cyclopropanamine
CID 106450602
N-[[2-(3,5-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]cyclopropanamine
CID 115953881
2-[1-[[2-[(cyclopropylamino)methyl]-6-methylphenoxy]methyl]cyclopropyl]acetonitrile
CID 115953898

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethoxypropoxy)-3-methylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-ethoxypropoxy)-3-methylphenyl]methyl]cyclopropanamine (CID 112610027) is N-[[2-(3-ethoxypropoxy)-3-methylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-ethoxypropoxy)-3-methylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-ethoxypropoxy)-3-methylphenyl]methyl]cyclopropanamine is CCOCCCOc1c(C)cccc1CNC1CC1.
What is the InChIKey of N-[[2-(3-ethoxypropoxy)-3-methylphenyl]methyl]cyclopropanamine?
The InChIKey is QYUHVODEKYPVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-18-10-5-11-19-16-13(2)6-4-7-14(16)12-17-15-8-9-15/h4,6-7,15,17H,3,5,8-12H2,1-2H3.
What are the key properties of N-[[2-(3-ethoxypropoxy)-3-methylphenyl]methyl]cyclopropanamine?
N-[[2-(3-ethoxypropoxy)-3-methylphenyl]methyl]cyclopropanamine has a molecular weight of 263.38 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethoxypropoxy)-3-methylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 112610027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).