N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine

C17H25NO2 — CID 114471447

IUPACN-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine
SMILESC=C(C)CCOc1c(CNC2CC2)cccc1OCC
InChIInChI=1S/C17H25NO2/c1-4-19-16-7-5-6-14(12-18-15-8-9-15)17(16)20-11-10-13(2)3/h5-7,15,18H,2,4,8-12H2,1,3H3
InChIKeyYLVSFMAXJGOGRF-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.68
Rot. Bonds9

About N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine

N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine (PubChem CID 114471447) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine
PubChem CID114471447
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine
SMILESC=C(C)CCOc1c(CNC2CC2)cccc1OCC
InChIInChI=1S/C17H25NO2/c1-4-19-16-7-5-6-14(12-18-15-8-9-15)17(16)20-11-10-13(2)3/h5-7,15,18H,2,4,8-12H2,1,3H3
InChIKeyYLVSFMAXJGOGRF-UHFFFAOYSA-N
XLogP3.68
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 114471621
N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methoxyethanamine
CID 114471622
4-[(3-ethoxy-2-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 43220624
2-[2-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]-N-ethylacetamide
CID 43279015
N-[[3-ethoxy-4-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine
CID 114471427
N-[[2-(2-fluoroethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 80698601
N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine
CID 4717334
2-[2-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]propanamide
CID 43279005
1-[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]butan-2-amine
CID 114476278
N-cyclopropyl-3-[2-ethoxy-6-(hydroxymethyl)phenoxy]propanamide
CID 62626670
N-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]cyclopropanamine
CID 114619680
N-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 17054688

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine (CID 114471447) is N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine is C=C(C)CCOc1c(CNC2CC2)cccc1OCC.
What is the InChIKey of N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is YLVSFMAXJGOGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-19-16-7-5-6-14(12-18-15-8-9-15)17(16)20-11-10-13(2)3/h5-7,15,18H,2,4,8-12H2,1,3H3.
What are the key properties of N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine?
N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 275.39 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114471447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).