N-[2-methoxy-1-(4-methylphenyl)prop-1-enyl]ethanimine

C13H17NO — CID 123843964

IUPACN-[2-methoxy-1-(4-methylphenyl)prop-1-enyl]ethanimine
SMILESC/C=N/C(=C(C)OC)c1ccc(C)cc1
InChIInChI=1S/C13H17NO/c1-5-14-13(11(3)15-4)12-8-6-10(2)7-9-12/h5-9H,1-4H3/b13-11?,14-5+
InChIKeyBIERHZKCWBGICH-OBHKKLAPSA-N
MW203.28 g/mol
LogP3.42
Rot. Bonds3

About N-[2-methoxy-1-(4-methylphenyl)prop-1-enyl]ethanimine

N-[2-methoxy-1-(4-methylphenyl)prop-1-enyl]ethanimine (PubChem CID 123843964) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is N-[2-methoxy-1-(4-methylphenyl)prop-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[2-methoxy-1-(4-methylphenyl)prop-1-enyl]ethanimine
PubChem CID123843964
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC NameN-[2-methoxy-1-(4-methylphenyl)prop-1-enyl]ethanimine
SMILESC/C=N/C(=C(C)OC)c1ccc(C)cc1
InChIInChI=1S/C13H17NO/c1-5-14-13(11(3)15-4)12-8-6-10(2)7-9-12/h5-9H,1-4H3/b13-11?,14-5+
InChIKeyBIERHZKCWBGICH-OBHKKLAPSA-N
XLogP3.42
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-1-(4-methylphenyl)prop-1-enyl]ethanimine?
The IUPAC name of N-[2-methoxy-1-(4-methylphenyl)prop-1-enyl]ethanimine (CID 123843964) is N-[2-methoxy-1-(4-methylphenyl)prop-1-enyl]ethanimine.
What is the SMILES notation for N-[2-methoxy-1-(4-methylphenyl)prop-1-enyl]ethanimine?
The canonical SMILES for N-[2-methoxy-1-(4-methylphenyl)prop-1-enyl]ethanimine is C/C=N/C(=C(C)OC)c1ccc(C)cc1.
What is the InChIKey of N-[2-methoxy-1-(4-methylphenyl)prop-1-enyl]ethanimine?
The InChIKey is BIERHZKCWBGICH-OBHKKLAPSA-N. The full InChI is InChI=1S/C13H17NO/c1-5-14-13(11(3)15-4)12-8-6-10(2)7-9-12/h5-9H,1-4H3/b13-11?,14-5+.
What are the key properties of N-[2-methoxy-1-(4-methylphenyl)prop-1-enyl]ethanimine?
N-[2-methoxy-1-(4-methylphenyl)prop-1-enyl]ethanimine has a molecular weight of 203.28 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-1-(4-methylphenyl)prop-1-enyl]ethanimine is sourced from PubChem (CID 123843964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).