4-[(Z)-2-(methoxymethyl)but-1-enyl]-N-methylaniline

C13H19NO — CID 142894520

IUPAC4-[(Z)-2-(methoxymethyl)but-1-enyl]-N-methylaniline
SMILESCC/C(=C/c1ccc(NC)cc1)COC
InChIInChI=1S/C13H19NO/c1-4-11(10-15-3)9-12-5-7-13(14-2)8-6-12/h5-9,14H,4,10H2,1-3H3/b11-9-
InChIKeyQJRFAWPUWAAHHE-LUAWRHEFSA-N
MW205.30 g/mol
LogP3.17
Rot. Bonds5

About 4-[(Z)-2-(methoxymethyl)but-1-enyl]-N-methylaniline

4-[(Z)-2-(methoxymethyl)but-1-enyl]-N-methylaniline (PubChem CID 142894520) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-[(Z)-2-(methoxymethyl)but-1-enyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(Z)-2-(methoxymethyl)but-1-enyl]-N-methylaniline
PubChem CID142894520
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-[(Z)-2-(methoxymethyl)but-1-enyl]-N-methylaniline
SMILESCC/C(=C/c1ccc(NC)cc1)COC
InChIInChI=1S/C13H19NO/c1-4-11(10-15-3)9-12-5-7-13(14-2)8-6-12/h5-9,14H,4,10H2,1-3H3/b11-9-
InChIKeyQJRFAWPUWAAHHE-LUAWRHEFSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-(methoxymethyl)but-1-enyl]-N-methylaniline?
The IUPAC name of 4-[(Z)-2-(methoxymethyl)but-1-enyl]-N-methylaniline (CID 142894520) is 4-[(Z)-2-(methoxymethyl)but-1-enyl]-N-methylaniline.
What is the SMILES notation for 4-[(Z)-2-(methoxymethyl)but-1-enyl]-N-methylaniline?
The canonical SMILES for 4-[(Z)-2-(methoxymethyl)but-1-enyl]-N-methylaniline is CC/C(=C/c1ccc(NC)cc1)COC.
What is the InChIKey of 4-[(Z)-2-(methoxymethyl)but-1-enyl]-N-methylaniline?
The InChIKey is QJRFAWPUWAAHHE-LUAWRHEFSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-11(10-15-3)9-12-5-7-13(14-2)8-6-12/h5-9,14H,4,10H2,1-3H3/b11-9-.
What are the key properties of 4-[(Z)-2-(methoxymethyl)but-1-enyl]-N-methylaniline?
4-[(Z)-2-(methoxymethyl)but-1-enyl]-N-methylaniline has a molecular weight of 205.30 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-(methoxymethyl)but-1-enyl]-N-methylaniline is sourced from PubChem (CID 142894520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).