(4-amino-3-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone

C13H18N2O3 — CID 107074853

IUPAC(4-amino-3-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)COCCN1C(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C13H18N2O3/c1-13(2)8-18-6-5-15(13)12(17)9-3-4-10(14)11(16)7-9/h3-4,7,16H,5-6,8,14H2,1-2H3
InChIKeyRCNHUFXBEVQUHW-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.23
Rot. Bonds1

About (4-amino-3-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone

(4-amino-3-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone (PubChem CID 107074853) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (4-amino-3-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
PubChem CID107074853
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(4-amino-3-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)COCCN1C(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C13H18N2O3/c1-13(2)8-18-6-5-15(13)12(17)9-3-4-10(14)11(16)7-9/h3-4,7,16H,5-6,8,14H2,1-2H3
InChIKeyRCNHUFXBEVQUHW-UHFFFAOYSA-N
XLogP1.23
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (4-amino-3-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone (CID 107074853) is (4-amino-3-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-amino-3-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (4-amino-3-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone is CC1(C)COCCN1C(=O)c1ccc(N)c(O)c1.
What is the InChIKey of (4-amino-3-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone?
The InChIKey is RCNHUFXBEVQUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-13(2)8-18-6-5-15(13)12(17)9-3-4-10(14)11(16)7-9/h3-4,7,16H,5-6,8,14H2,1-2H3.
What are the key properties of (4-amino-3-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone?
(4-amino-3-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone has a molecular weight of 250.30 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 107074853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).