N-[[3-methoxy-5-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine

C15H23NO3 — CID 59817672

IUPACN-[[3-methoxy-5-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine
SMILESCOCCOCc1cc(CNC2CC2)cc(OC)c1
InChIInChI=1S/C15H23NO3/c1-17-5-6-19-11-13-7-12(8-15(9-13)18-2)10-16-14-3-4-14/h7-9,14,16H,3-6,10-11H2,1-2H3
InChIKeyKHPNEIISXZITNE-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.11
Rot. Bonds9

About N-[[3-methoxy-5-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine

N-[[3-methoxy-5-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine (PubChem CID 59817672) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[[3-methoxy-5-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-methoxy-5-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine
PubChem CID59817672
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[[3-methoxy-5-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine
SMILESCOCCOCc1cc(CNC2CC2)cc(OC)c1
InChIInChI=1S/C15H23NO3/c1-17-5-6-19-11-13-7-12(8-15(9-13)18-2)10-16-14-3-4-14/h7-9,14,16H,3-6,10-11H2,1-2H3
InChIKeyKHPNEIISXZITNE-UHFFFAOYSA-N
XLogP2.11
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine
CID 55077799
4-N-[(3,5-dimethoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62314391
1-(bromomethyl)-3-methoxy-5-(2-methoxyethoxymethyl)benzene
CID 58005605
N-[[4-(2-methoxyethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine
CID 43276814
N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 103180982
N-cyclopropyl-3-(2-methoxyethoxymethyl)aniline
CID 103439171
N-[[5-(3-methoxypropoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62440537
N-[[4-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 62441857
N-[[3-fluoro-5-(4-methoxyphenoxy)phenyl]methyl]cyclopropanamine
CID 106533367
N-[[3-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 107688280
N-[[3-(hexoxymethyl)phenyl]methyl]cyclopropanamine
CID 62456252
N-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]cyclopropanamine
CID 55077554

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-5-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-methoxy-5-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine (CID 59817672) is N-[[3-methoxy-5-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-methoxy-5-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-methoxy-5-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine is COCCOCc1cc(CNC2CC2)cc(OC)c1.
What is the InChIKey of N-[[3-methoxy-5-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine?
The InChIKey is KHPNEIISXZITNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-17-5-6-19-11-13-7-12(8-15(9-13)18-2)10-16-14-3-4-14/h7-9,14,16H,3-6,10-11H2,1-2H3.
What are the key properties of N-[[3-methoxy-5-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine?
N-[[3-methoxy-5-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine has a molecular weight of 265.35 g/mol, XLogP of 2.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-5-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 59817672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).