(3-amino-4-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone

C13H18N2O3 — CID 16775016

IUPAC(3-amino-4-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone
SMILESCOc1ccc(C(=O)N2CCOC(C)C2)cc1N
InChIInChI=1S/C13H18N2O3/c1-9-8-15(5-6-18-9)13(16)10-3-4-12(17-2)11(14)7-10/h3-4,7,9H,5-6,8,14H2,1-2H3
InChIKeyFFHZATXKXCADBO-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.14
Rot. Bonds2

About (3-amino-4-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone

(3-amino-4-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone (PubChem CID 16775016) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (3-amino-4-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone
PubChem CID16775016
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(3-amino-4-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone
SMILESCOc1ccc(C(=O)N2CCOC(C)C2)cc1N
InChIInChI=1S/C13H18N2O3/c1-9-8-15(5-6-18-9)13(16)10-3-4-12(17-2)11(14)7-10/h3-4,7,9H,5-6,8,14H2,1-2H3
InChIKeyFFHZATXKXCADBO-UHFFFAOYSA-N
XLogP1.14
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(3-amino-4-methoxybenzoyl)morpholine-2-carboxylate
CID 115533204
(4-methoxy-3-methylsulfonylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 110631332
(3-amino-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 16786462
(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51710348
(3-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66393989
(3-amino-4-methoxyphenyl)-(3-methoxypiperidin-1-yl)methanone
CID 102955038
(3,5-dimethoxyphenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 51710349
(5-amino-2-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62987911
(4-amino-5-chloro-2-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone;hydrochloride
CID 119698736
(3-iodo-4-propan-2-yloxyphenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647255
(3-amino-4-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585621
(4-amino-3-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62987389

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of (3-amino-4-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone (CID 16775016) is (3-amino-4-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (3-amino-4-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for (3-amino-4-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone is COc1ccc(C(=O)N2CCOC(C)C2)cc1N.
What is the InChIKey of (3-amino-4-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone?
The InChIKey is FFHZATXKXCADBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-8-15(5-6-18-9)13(16)10-3-4-12(17-2)11(14)7-10/h3-4,7,9H,5-6,8,14H2,1-2H3.
What are the key properties of (3-amino-4-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone?
(3-amino-4-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone has a molecular weight of 250.30 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 16775016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).