(E)-1-(2-butylphenyl)-N-methoxyethanimine

C13H19NO — CID 164678029

IUPAC(E)-1-(2-butylphenyl)-N-methoxyethanimine
SMILESCCCCc1ccccc1/C(C)=N/OC
InChIInChI=1S/C13H19NO/c1-4-5-8-12-9-6-7-10-13(12)11(2)14-15-3/h6-7,9-10H,4-5,8H2,1-3H3/b14-11+
InChIKeyRNUQKNICFNUTSC-SDNWHVSQSA-N
MW205.30 g/mol
LogP3.40
Rot. Bonds5

About (E)-1-(2-butylphenyl)-N-methoxyethanimine

(E)-1-(2-butylphenyl)-N-methoxyethanimine (PubChem CID 164678029) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (E)-1-(2-butylphenyl)-N-methoxyethanimine.

Molecular Properties

Compound Name(E)-1-(2-butylphenyl)-N-methoxyethanimine
PubChem CID164678029
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(E)-1-(2-butylphenyl)-N-methoxyethanimine
SMILESCCCCc1ccccc1/C(C)=N/OC
InChIInChI=1S/C13H19NO/c1-4-5-8-12-9-6-7-10-13(12)11(2)14-15-3/h6-7,9-10H,4-5,8H2,1-3H3/b14-11+
InChIKeyRNUQKNICFNUTSC-SDNWHVSQSA-N
XLogP3.40
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-(2-ethylphenyl)-N-methoxyethanimine
CID 59119889
N-methoxy-1-[2-(phosphanyloxymethyl)phenyl]ethanimine
CID 72608293
N-[1-(2-dodecylphenyl)ethylidene]hydroxylamine
CID 86160120
2-butyl-N'-hydroxybenzenecarboximidamide
CID 141269238
bis(2-butylbenzoyl) benzene-1,2-dicarboxylate
CID 87505801
2-butylbenzamide
CID 15468173
azane;2-butylbenzoic acid
CID 174819524
1-butyl-2-(1-fluoroethenyl)benzene
CID 143939431
(Z)-1-(2-fluorophenyl)-N-methoxyethanimine
CID 18416418
(E)-N-methoxy-1-[2-(morpholin-4-ylmethyl)phenyl]ethanimine
CID 90882108
bis(2-butylbenzoate);cadmium(2+)
CID 101299924
1-butyl-2-[(3Z)-penta-1,3-dien-2-yl]benzene
CID 144862255

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-butylphenyl)-N-methoxyethanimine?
The IUPAC name of (E)-1-(2-butylphenyl)-N-methoxyethanimine (CID 164678029) is (E)-1-(2-butylphenyl)-N-methoxyethanimine.
What is the SMILES notation for (E)-1-(2-butylphenyl)-N-methoxyethanimine?
The canonical SMILES for (E)-1-(2-butylphenyl)-N-methoxyethanimine is CCCCc1ccccc1/C(C)=N/OC.
What is the InChIKey of (E)-1-(2-butylphenyl)-N-methoxyethanimine?
The InChIKey is RNUQKNICFNUTSC-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-5-8-12-9-6-7-10-13(12)11(2)14-15-3/h6-7,9-10H,4-5,8H2,1-3H3/b14-11+.
What are the key properties of (E)-1-(2-butylphenyl)-N-methoxyethanimine?
(E)-1-(2-butylphenyl)-N-methoxyethanimine has a molecular weight of 205.30 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-butylphenyl)-N-methoxyethanimine is sourced from PubChem (CID 164678029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).