N-butyl-1-(3-ethoxyphenyl)methanimine

C13H19NO — CID 584358

IUPACN-butyl-1-(3-ethoxyphenyl)methanimine
SMILESCCCC/N=C/c1cccc(OCC)c1
InChIInChI=1S/C13H19NO/c1-3-5-9-14-11-12-7-6-8-13(10-12)15-4-2/h6-8,10-11H,3-5,9H2,1-2H3/b14-11+
InChIKeyLEZSTYGWGFUCSY-SDNWHVSQSA-N
MW205.30 g/mol
LogP3.30
Rot. Bonds6

About N-butyl-1-(3-ethoxyphenyl)methanimine

N-butyl-1-(3-ethoxyphenyl)methanimine (PubChem CID 584358) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-butyl-1-(3-ethoxyphenyl)methanimine.

Molecular Properties

Compound NameN-butyl-1-(3-ethoxyphenyl)methanimine
PubChem CID584358
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-butyl-1-(3-ethoxyphenyl)methanimine
SMILESCCCC/N=C/c1cccc(OCC)c1
InChIInChI=1S/C13H19NO/c1-3-5-9-14-11-12-7-6-8-13(10-12)15-4-2/h6-8,10-11H,3-5,9H2,1-2H3/b14-11+
InChIKeyLEZSTYGWGFUCSY-SDNWHVSQSA-N
XLogP3.30
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[3-(heptyliminomethyl)phenoxy]propan-1-amine
CID 57198507
1-(3-ethoxyphenyl)-N-(2-methylphenyl)methanimine
CID 126208870
N-[(3-ethoxyphenyl)methylideneamino]aniline
CID 169381619
1-ethenyl-3-ethoxybenzene
CID 11672687
2-[(3-ethoxyphenyl)methylideneamino]guanidine
CID 76880079
N-[(3-ethoxyphenyl)methylideneamino]-1-phenylmethanamine
CID 110839888
1-(3-ethenylphenyl)-N-hexylmethanimine
CID 66742788
3-amino-4-[3-[3-(heptyliminomethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione
CID 57120449
1-(3-ethoxyphenyl)-N-(4-methoxyphenyl)methanimine
CID 126205496
1-(3-ethoxyphenyl)-N-(4-ethylphenyl)methanimine
CID 126216277
1-(3-ethoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126205554
1-ethoxy-3-(2-methylprop-1-enyl)benzene
CID 139695062

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(3-ethoxyphenyl)methanimine?
The IUPAC name of N-butyl-1-(3-ethoxyphenyl)methanimine (CID 584358) is N-butyl-1-(3-ethoxyphenyl)methanimine.
What is the SMILES notation for N-butyl-1-(3-ethoxyphenyl)methanimine?
The canonical SMILES for N-butyl-1-(3-ethoxyphenyl)methanimine is CCCC/N=C/c1cccc(OCC)c1.
What is the InChIKey of N-butyl-1-(3-ethoxyphenyl)methanimine?
The InChIKey is LEZSTYGWGFUCSY-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-5-9-14-11-12-7-6-8-13(10-12)15-4-2/h6-8,10-11H,3-5,9H2,1-2H3/b14-11+.
What are the key properties of N-butyl-1-(3-ethoxyphenyl)methanimine?
N-butyl-1-(3-ethoxyphenyl)methanimine has a molecular weight of 205.30 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(3-ethoxyphenyl)methanimine is sourced from PubChem (CID 584358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).