N-methoxy-1-[4-(methoxymethyl)phenyl]but-1-en-1-amine

C13H19NO2 — CID 90763048

IUPACN-methoxy-1-[4-(methoxymethyl)phenyl]but-1-en-1-amine
SMILESCCC=C(NOC)c1ccc(COC)cc1
InChIInChI=1S/C13H19NO2/c1-4-5-13(14-16-3)12-8-6-11(7-9-12)10-15-2/h5-9,14H,4,10H2,1-3H3
InChIKeyRFFULIRRMIQXPH-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.73
Rot. Bonds6

About N-methoxy-1-[4-(methoxymethyl)phenyl]but-1-en-1-amine

N-methoxy-1-[4-(methoxymethyl)phenyl]but-1-en-1-amine (PubChem CID 90763048) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-methoxy-1-[4-(methoxymethyl)phenyl]but-1-en-1-amine.

Molecular Properties

Compound NameN-methoxy-1-[4-(methoxymethyl)phenyl]but-1-en-1-amine
PubChem CID90763048
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-methoxy-1-[4-(methoxymethyl)phenyl]but-1-en-1-amine
SMILESCCC=C(NOC)c1ccc(COC)cc1
InChIInChI=1S/C13H19NO2/c1-4-5-13(14-16-3)12-8-6-11(7-9-12)10-15-2/h5-9,14H,4,10H2,1-3H3
InChIKeyRFFULIRRMIQXPH-UHFFFAOYSA-N
XLogP2.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-[4-(methoxymethyl)phenyl]but-1-en-1-amine?
The IUPAC name of N-methoxy-1-[4-(methoxymethyl)phenyl]but-1-en-1-amine (CID 90763048) is N-methoxy-1-[4-(methoxymethyl)phenyl]but-1-en-1-amine.
What is the SMILES notation for N-methoxy-1-[4-(methoxymethyl)phenyl]but-1-en-1-amine?
The canonical SMILES for N-methoxy-1-[4-(methoxymethyl)phenyl]but-1-en-1-amine is CCC=C(NOC)c1ccc(COC)cc1.
What is the InChIKey of N-methoxy-1-[4-(methoxymethyl)phenyl]but-1-en-1-amine?
The InChIKey is RFFULIRRMIQXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-5-13(14-16-3)12-8-6-11(7-9-12)10-15-2/h5-9,14H,4,10H2,1-3H3.
What are the key properties of N-methoxy-1-[4-(methoxymethyl)phenyl]but-1-en-1-amine?
N-methoxy-1-[4-(methoxymethyl)phenyl]but-1-en-1-amine has a molecular weight of 221.30 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-[4-(methoxymethyl)phenyl]but-1-en-1-amine is sourced from PubChem (CID 90763048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).