(2-ethylmorpholin-4-yl)-phenylmethanimine

C13H18N2O — CID 63175731

IUPAC(2-ethylmorpholin-4-yl)-phenylmethanimine
SMILES[H]/N=C(\c1ccccc1)N1CCOC(CC)C1
InChIInChI=1S/C13H18N2O/c1-2-12-10-15(8-9-16-12)13(14)11-6-4-3-5-7-11/h3-7,12,14H,2,8-10H2,1H3/b14-13+
InChIKeyLDMLLEUTPKLPSP-BUHFOSPRSA-N
MW218.30 g/mol
LogP2.12
Rot. Bonds2

About (2-ethylmorpholin-4-yl)-phenylmethanimine

(2-ethylmorpholin-4-yl)-phenylmethanimine (PubChem CID 63175731) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (2-ethylmorpholin-4-yl)-phenylmethanimine.

Molecular Properties

Compound Name(2-ethylmorpholin-4-yl)-phenylmethanimine
PubChem CID63175731
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(2-ethylmorpholin-4-yl)-phenylmethanimine
SMILES[H]/N=C(\c1ccccc1)N1CCOC(CC)C1
InChIInChI=1S/C13H18N2O/c1-2-12-10-15(8-9-16-12)13(14)11-6-4-3-5-7-11/h3-7,12,14H,2,8-10H2,1H3/b14-13+
InChIKeyLDMLLEUTPKLPSP-BUHFOSPRSA-N
XLogP2.12
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-ethylmorpholin-4-yl)-phenylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-ethylmorpholine-4-carbonyl)benzoic acid
CID 43563067
2-ethyl-N-phenylmorpholine-4-carbothioamide
CID 116507471
2-ethylmorpholine-4-carboxylic acid
CID 121455686
benzyl (2R)-2-ethylmorpholine-4-carboxylate
CID 164672406
cyclopropyl-(2-ethyl-1,4-oxazepan-4-yl)methanimine
CID 130485538
2-[(2-ethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61203216
(2-ethylmorpholin-4-yl)-(4-sulfanylphenyl)methanone
CID 107023047
4-[3-(2-ethylmorpholin-4-yl)-3-oxopropyl]benzoic acid
CID 119182801
1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone
CID 43070650
[(2S)-2-(fluoromethyl)morpholin-4-yl]-phenylmethanone
CID 129348847
2-[4-(3-phenylprop-2-ynoyl)morpholin-2-yl]acetic acid
CID 66433018
4-amino-1-(2-ethylmorpholin-4-yl)-4-phenylbutan-1-one
CID 63324245

Frequently Asked Questions

What is the IUPAC name of (2-ethylmorpholin-4-yl)-phenylmethanimine?
The IUPAC name of (2-ethylmorpholin-4-yl)-phenylmethanimine (CID 63175731) is (2-ethylmorpholin-4-yl)-phenylmethanimine.
What is the SMILES notation for (2-ethylmorpholin-4-yl)-phenylmethanimine?
The canonical SMILES for (2-ethylmorpholin-4-yl)-phenylmethanimine is [H]/N=C(\c1ccccc1)N1CCOC(CC)C1.
What is the InChIKey of (2-ethylmorpholin-4-yl)-phenylmethanimine?
The InChIKey is LDMLLEUTPKLPSP-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-12-10-15(8-9-16-12)13(14)11-6-4-3-5-7-11/h3-7,12,14H,2,8-10H2,1H3/b14-13+.
What are the key properties of (2-ethylmorpholin-4-yl)-phenylmethanimine?
(2-ethylmorpholin-4-yl)-phenylmethanimine has a molecular weight of 218.30 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylmorpholin-4-yl)-phenylmethanimine is sourced from PubChem (CID 63175731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).