N-(3-ethoxyphenyl)-1-pyrrolidin-1-ylmethanimine

C13H18N2O — CID 523917

IUPACN-(3-ethoxyphenyl)-1-pyrrolidin-1-ylmethanimine
SMILESCCOc1cccc(/N=C/N2CCCC2)c1
InChIInChI=1S/C13H18N2O/c1-2-16-13-7-5-6-12(10-13)14-11-15-8-3-4-9-15/h5-7,10-11H,2-4,8-9H2,1H3/b14-11+
InChIKeyMZXJRYNAFDFRGZ-SDNWHVSQSA-N
MW218.30 g/mol
LogP2.84
Rot. Bonds4

About N-(3-ethoxyphenyl)-1-pyrrolidin-1-ylmethanimine

N-(3-ethoxyphenyl)-1-pyrrolidin-1-ylmethanimine (PubChem CID 523917) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-1-pyrrolidin-1-ylmethanimine.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-1-pyrrolidin-1-ylmethanimine
PubChem CID523917
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-(3-ethoxyphenyl)-1-pyrrolidin-1-ylmethanimine
SMILESCCOc1cccc(/N=C/N2CCCC2)c1
InChIInChI=1S/C13H18N2O/c1-2-16-13-7-5-6-12(10-13)14-11-15-8-3-4-9-15/h5-7,10-11H,2-4,8-9H2,1H3/b14-11+
InChIKeyMZXJRYNAFDFRGZ-SDNWHVSQSA-N
XLogP2.84
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethoxyphenyl)-N-(3-phenoxyphenyl)methanimine
CID 10881658
N-(3-bromophenyl)-N'-(3-ethoxyphenyl)methanimidamide
CID 525791
1-(3-ethoxyphenyl)sulfonylpyrrolidine
CID 141152893
3-ethoxy-N-(2-piperidin-1-ylethyl)aniline
CID 54807153
propan-2-yl 2-[4-[(3-ethoxyphenyl)iminomethyl]phenoxy]acetate
CID 126191295
1-(3-ethoxyphenyl)-N-(2-methylphenyl)methanimine
CID 126208870
N-(3-ethoxyphenyl)formamide
CID 57236062
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
3-[(2,4-diethoxyphenyl)methylideneamino]benzoic acid
CID 23991610
1-bromo-3-ethoxybenzene;ethane
CID 143900364
1-(3-ethoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126205554
1-(3-ethoxyphenyl)-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110558487

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-1-pyrrolidin-1-ylmethanimine?
The IUPAC name of N-(3-ethoxyphenyl)-1-pyrrolidin-1-ylmethanimine (CID 523917) is N-(3-ethoxyphenyl)-1-pyrrolidin-1-ylmethanimine.
What is the SMILES notation for N-(3-ethoxyphenyl)-1-pyrrolidin-1-ylmethanimine?
The canonical SMILES for N-(3-ethoxyphenyl)-1-pyrrolidin-1-ylmethanimine is CCOc1cccc(/N=C/N2CCCC2)c1.
What is the InChIKey of N-(3-ethoxyphenyl)-1-pyrrolidin-1-ylmethanimine?
The InChIKey is MZXJRYNAFDFRGZ-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-16-13-7-5-6-12(10-13)14-11-15-8-3-4-9-15/h5-7,10-11H,2-4,8-9H2,1H3/b14-11+.
What are the key properties of N-(3-ethoxyphenyl)-1-pyrrolidin-1-ylmethanimine?
N-(3-ethoxyphenyl)-1-pyrrolidin-1-ylmethanimine has a molecular weight of 218.30 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-1-pyrrolidin-1-ylmethanimine is sourced from PubChem (CID 523917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).