[2-(aminomethyl)-6-methylmorpholin-4-yl]-(3,4-dihydroxyphenyl)methanone

C13H18N2O4 — CID 107727574

IUPAC[2-(aminomethyl)-6-methylmorpholin-4-yl]-(3,4-dihydroxyphenyl)methanone
SMILESCC1CN(C(=O)c2ccc(O)c(O)c2)CC(CN)O1
InChIInChI=1S/C13H18N2O4/c1-8-6-15(7-10(5-14)19-8)13(18)9-2-3-11(16)12(17)4-9/h2-4,8,10,16-17H,5-7,14H2,1H3
InChIKeyPLVAXBMMVAGSOH-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.29
Rot. Bonds2

About [2-(aminomethyl)-6-methylmorpholin-4-yl]-(3,4-dihydroxyphenyl)methanone

[2-(aminomethyl)-6-methylmorpholin-4-yl]-(3,4-dihydroxyphenyl)methanone (PubChem CID 107727574) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is [2-(aminomethyl)-6-methylmorpholin-4-yl]-(3,4-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-6-methylmorpholin-4-yl]-(3,4-dihydroxyphenyl)methanone
PubChem CID107727574
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name[2-(aminomethyl)-6-methylmorpholin-4-yl]-(3,4-dihydroxyphenyl)methanone
SMILESCC1CN(C(=O)c2ccc(O)c(O)c2)CC(CN)O1
InChIInChI=1S/C13H18N2O4/c1-8-6-15(7-10(5-14)19-8)13(18)9-2-3-11(16)12(17)4-9/h2-4,8,10,16-17H,5-7,14H2,1H3
InChIKeyPLVAXBMMVAGSOH-UHFFFAOYSA-N
XLogP0.29
TPSA96.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze [2-(aminomethyl)-6-methylmorpholin-4-yl]-(3,4-dihydroxyphenyl)methanone 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

[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,4-dihydroxyphenyl)methanone
CID 107729118
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(3,4-dimethoxyphenyl)methanone
CID 102938320
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(4-methoxyphenyl)methanone
CID 102938451
(3-hydroxy-4-iodophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102978661
[2-(aminomethyl)-6-methylmorpholin-4-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 102938275
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(3-propoxyphenyl)methanone
CID 102938425
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 102938421
[4-(aminomethyl)phenyl]-(2-ethyl-6-methylmorpholin-4-yl)methanone;hydrochloride
CID 119304821
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-hydroxyphenyl)methanone
CID 102937683
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
(4-tert-butylphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934330
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,4-dichlorophenyl)methanone
CID 102937906

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-6-methylmorpholin-4-yl]-(3,4-dihydroxyphenyl)methanone?
The IUPAC name of [2-(aminomethyl)-6-methylmorpholin-4-yl]-(3,4-dihydroxyphenyl)methanone (CID 107727574) is [2-(aminomethyl)-6-methylmorpholin-4-yl]-(3,4-dihydroxyphenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)-6-methylmorpholin-4-yl]-(3,4-dihydroxyphenyl)methanone?
The canonical SMILES for [2-(aminomethyl)-6-methylmorpholin-4-yl]-(3,4-dihydroxyphenyl)methanone is CC1CN(C(=O)c2ccc(O)c(O)c2)CC(CN)O1.
What is the InChIKey of [2-(aminomethyl)-6-methylmorpholin-4-yl]-(3,4-dihydroxyphenyl)methanone?
The InChIKey is PLVAXBMMVAGSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8-6-15(7-10(5-14)19-8)13(18)9-2-3-11(16)12(17)4-9/h2-4,8,10,16-17H,5-7,14H2,1H3.
What are the key properties of [2-(aminomethyl)-6-methylmorpholin-4-yl]-(3,4-dihydroxyphenyl)methanone?
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(3,4-dihydroxyphenyl)methanone has a molecular weight of 266.30 g/mol, XLogP of 0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-6-methylmorpholin-4-yl]-(3,4-dihydroxyphenyl)methanone is sourced from PubChem (CID 107727574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).