(4-amino-2-methoxyphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone

C14H20N2O4 — CID 102931441

IUPAC(4-amino-2-methoxyphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
SMILESCOc1cc(N)ccc1C(=O)N1CC(C)OC(CO)C1
InChIInChI=1S/C14H20N2O4/c1-9-6-16(7-11(8-17)20-9)14(18)12-4-3-10(15)5-13(12)19-2/h3-5,9,11,17H,6-8,15H2,1-2H3
InChIKeyGXIAILLRIUNSNF-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.50
Rot. Bonds3

About (4-amino-2-methoxyphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone

(4-amino-2-methoxyphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone (PubChem CID 102931441) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is (4-amino-2-methoxyphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-amino-2-methoxyphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
PubChem CID102931441
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name(4-amino-2-methoxyphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
SMILESCOc1cc(N)ccc1C(=O)N1CC(C)OC(CO)C1
InChIInChI=1S/C14H20N2O4/c1-9-6-16(7-11(8-17)20-9)14(18)12-4-3-10(15)5-13(12)19-2/h3-5,9,11,17H,6-8,15H2,1-2H3
InChIKeyGXIAILLRIUNSNF-UHFFFAOYSA-N
XLogP0.50
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-2-chlorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102931481
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-chloro-2-methoxyphenyl)methanone
CID 102937644
(5-amino-2-fluoro-3-methylphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 103296942
[4-(4-amino-2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931832
(4-chloro-2-methylphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102978663
(5-amino-1-benzothiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102931471
(3-amino-2,5-difluorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 107121539
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 27232905
2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]benzoic acid
CID 102932282
(5-amino-2-ethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 28690020
(4-amino-2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 16775580
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-naphthalen-1-ylmethanone
CID 102934601

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methoxyphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The IUPAC name of (4-amino-2-methoxyphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone (CID 102931441) is (4-amino-2-methoxyphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (4-amino-2-methoxyphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The canonical SMILES for (4-amino-2-methoxyphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone is COc1cc(N)ccc1C(=O)N1CC(C)OC(CO)C1.
What is the InChIKey of (4-amino-2-methoxyphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The InChIKey is GXIAILLRIUNSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9-6-16(7-11(8-17)20-9)14(18)12-4-3-10(15)5-13(12)19-2/h3-5,9,11,17H,6-8,15H2,1-2H3.
What are the key properties of (4-amino-2-methoxyphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
(4-amino-2-methoxyphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone has a molecular weight of 280.32 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methoxyphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 102931441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).