(4-amino-5-chloro-2-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

C13H17ClN2O4 — CID 90103957

IUPAC(4-amino-5-chloro-2-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESCOc1cc(N)c(Cl)cc1C(=O)N1CCOC(CO)C1
InChIInChI=1S/C13H17ClN2O4/c1-19-12-5-11(15)10(14)4-9(12)13(18)16-2-3-20-8(6-16)7-17/h4-5,8,17H,2-3,6-7,15H2,1H3
InChIKeyGKZOPJPWDDICCL-UHFFFAOYSA-N
MW300.74 g/mol
LogP0.76
Rot. Bonds3

About (4-amino-5-chloro-2-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

(4-amino-5-chloro-2-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 90103957) has the molecular formula C13H17ClN2O4 and a molecular weight of 300.74 g/mol. Its IUPAC name is (4-amino-5-chloro-2-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-amino-5-chloro-2-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID90103957
Molecular FormulaC13H17ClN2O4
Molecular Weight300.74 g/mol
Exact Mass300.09
IUPAC Name(4-amino-5-chloro-2-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESCOc1cc(N)c(Cl)cc1C(=O)N1CCOC(CO)C1
InChIInChI=1S/C13H17ClN2O4/c1-19-12-5-11(15)10(14)4-9(12)13(18)16-2-3-20-8(6-16)7-17/h4-5,8,17H,2-3,6-7,15H2,1H3
InChIKeyGKZOPJPWDDICCL-UHFFFAOYSA-N
XLogP0.76
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 50.76
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-5-chloro-2-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone;hydrochloride
CID 119698736
(4-amino-5-chloro-2-methoxyphenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride
CID 119881097
(2-amino-4-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 115413615
ethyl 2-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]morpholine-4-carboxylate
CID 14877396
(4-amino-2-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81205390
(4-amino-5-chloro-2-methoxyphenyl)-(3-aminopiperidin-1-yl)methanone
CID 122080175
(4-amino-5-chloro-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 110465007
(4-amino-5-chloro-2-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 119781775
(4-amino-5-chloro-2-methoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;hydrochloride
CID 119669799
[2-(hydroxymethyl)morpholin-4-yl]-(2-methoxy-4-nitrophenyl)methanone
CID 104783712
(4-amino-5-chloro-2-methoxyphenyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 119781937
2-[4-(5-chloro-2-methoxy-4-pyrrol-1-ylbenzoyl)morpholin-2-yl]acetic acid
CID 119247655

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-chloro-2-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of (4-amino-5-chloro-2-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (CID 90103957) is (4-amino-5-chloro-2-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-amino-5-chloro-2-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for (4-amino-5-chloro-2-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is COc1cc(N)c(Cl)cc1C(=O)N1CCOC(CO)C1.
What is the InChIKey of (4-amino-5-chloro-2-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is GKZOPJPWDDICCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4/c1-19-12-5-11(15)10(14)4-9(12)13(18)16-2-3-20-8(6-16)7-17/h4-5,8,17H,2-3,6-7,15H2,1H3.
What are the key properties of (4-amino-5-chloro-2-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
(4-amino-5-chloro-2-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone has a molecular weight of 300.74 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-chloro-2-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 90103957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).