2-ethyl-N-(3-methoxyphenyl)butan-1-imine

C13H19NO — CID 134609514

IUPAC2-ethyl-N-(3-methoxyphenyl)butan-1-imine
SMILESCCC(/C=N/c1cccc(OC)c1)CC
InChIInChI=1S/C13H19NO/c1-4-11(5-2)10-14-12-7-6-8-13(9-12)15-3/h6-11H,4-5H2,1-3H3/b14-10+
InChIKeyURYZULDCSYCXOL-GXDHUFHOSA-N
MW205.30 g/mol
LogP3.83
Rot. Bonds5

About 2-ethyl-N-(3-methoxyphenyl)butan-1-imine

2-ethyl-N-(3-methoxyphenyl)butan-1-imine (PubChem CID 134609514) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-ethyl-N-(3-methoxyphenyl)butan-1-imine.

Molecular Properties

Compound Name2-ethyl-N-(3-methoxyphenyl)butan-1-imine
PubChem CID134609514
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-ethyl-N-(3-methoxyphenyl)butan-1-imine
SMILESCCC(/C=N/c1cccc(OC)c1)CC
InChIInChI=1S/C13H19NO/c1-4-11(5-2)10-14-12-7-6-8-13(9-12)15-3/h6-11H,4-5H2,1-3H3/b14-10+
InChIKeyURYZULDCSYCXOL-GXDHUFHOSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibenzyl-N'-(3-methoxyphenyl)methanimidamide
CID 10980431
N-(3-methoxyphenyl)-1-(3-methylphenyl)methanimine
CID 86728778
N-(3-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)methanimine
CID 86728650
N-(3-methoxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)methanimine
CID 86728938
azane;1,3-dimethoxybenzene
CID 70210283
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
CID 172849383
CID 172849383
2-[(3-methoxyphenyl)iminomethyl]cyclohexane-1,3-dione
CID 123474402
N-(3-methoxyphenyl)-1-pyrazolo[1,5-a]pyridin-2-ylmethanimine
CID 86728688
(3-methoxyphenyl)-[(3-methoxyphenyl)methyl]diazene
CID 157276293
3-methoxy-N-[(2S,3S)-3-methylpentan-2-yl]aniline
CID 28548125
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CID 135498669

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-methoxyphenyl)butan-1-imine?
The IUPAC name of 2-ethyl-N-(3-methoxyphenyl)butan-1-imine (CID 134609514) is 2-ethyl-N-(3-methoxyphenyl)butan-1-imine.
What is the SMILES notation for 2-ethyl-N-(3-methoxyphenyl)butan-1-imine?
The canonical SMILES for 2-ethyl-N-(3-methoxyphenyl)butan-1-imine is CCC(/C=N/c1cccc(OC)c1)CC.
What is the InChIKey of 2-ethyl-N-(3-methoxyphenyl)butan-1-imine?
The InChIKey is URYZULDCSYCXOL-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-11(5-2)10-14-12-7-6-8-13(9-12)15-3/h6-11H,4-5H2,1-3H3/b14-10+.
What are the key properties of 2-ethyl-N-(3-methoxyphenyl)butan-1-imine?
2-ethyl-N-(3-methoxyphenyl)butan-1-imine has a molecular weight of 205.30 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-methoxyphenyl)butan-1-imine is sourced from PubChem (CID 134609514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).