(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-N-(2,6-dimethylmorpholin-4-yl)methanimine

C19H28N2O3 — CID 118711351

IUPAC(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-N-(2,6-dimethylmorpholin-4-yl)methanimine
SMILESCOc1ccc(/C=N/N2CC(C)OC(C)C2)cc1OC1CCCC1
InChIInChI=1S/C19H28N2O3/c1-14-12-21(13-15(2)23-14)20-11-16-8-9-18(22-3)19(10-16)24-17-6-4-5-7-17/h8-11,14-15,17H,4-7,12-13H2,1-3H3/b20-11+
InChIKeyNDQMTNKRDQKQQZ-RGVLZGJSSA-N
MW332.44 g/mol
LogP3.46
Rot. Bonds5

About (E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-N-(2,6-dimethylmorpholin-4-yl)methanimine

(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-N-(2,6-dimethylmorpholin-4-yl)methanimine (PubChem CID 118711351) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-N-(2,6-dimethylmorpholin-4-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-N-(2,6-dimethylmorpholin-4-yl)methanimine
PubChem CID118711351
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-N-(2,6-dimethylmorpholin-4-yl)methanimine
SMILESCOc1ccc(/C=N/N2CC(C)OC(C)C2)cc1OC1CCCC1
InChIInChI=1S/C19H28N2O3/c1-14-12-21(13-15(2)23-14)20-11-16-8-9-18(22-3)19(10-16)24-17-6-4-5-7-17/h8-11,14-15,17H,4-7,12-13H2,1-3H3/b20-11+
InChIKeyNDQMTNKRDQKQQZ-RGVLZGJSSA-N
XLogP3.46
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-N-(2,6-dimethylmorpholin-4-yl)methanimine?
The IUPAC name of (E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-N-(2,6-dimethylmorpholin-4-yl)methanimine (CID 118711351) is (E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-N-(2,6-dimethylmorpholin-4-yl)methanimine.
What is the SMILES notation for (E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-N-(2,6-dimethylmorpholin-4-yl)methanimine?
The canonical SMILES for (E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-N-(2,6-dimethylmorpholin-4-yl)methanimine is COc1ccc(/C=N/N2CC(C)OC(C)C2)cc1OC1CCCC1.
What is the InChIKey of (E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-N-(2,6-dimethylmorpholin-4-yl)methanimine?
The InChIKey is NDQMTNKRDQKQQZ-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14-12-21(13-15(2)23-14)20-11-16-8-9-18(22-3)19(10-16)24-17-6-4-5-7-17/h8-11,14-15,17H,4-7,12-13H2,1-3H3/b20-11+.
What are the key properties of (E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-N-(2,6-dimethylmorpholin-4-yl)methanimine?
(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-N-(2,6-dimethylmorpholin-4-yl)methanimine has a molecular weight of 332.44 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-cyclopentyloxy-4-methoxyphenyl)-N-(2,6-dimethylmorpholin-4-yl)methanimine is sourced from PubChem (CID 118711351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).