2-(3-aminophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one

C14H20N2O3 — CID 106591659

IUPAC2-(3-aminophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
SMILESCC(C(=O)N1CCOC(CO)C1)c1cccc(N)c1
InChIInChI=1S/C14H20N2O3/c1-10(11-3-2-4-12(15)7-11)14(18)16-5-6-19-13(8-16)9-17/h2-4,7,10,13,17H,5-6,8-9,15H2,1H3
InChIKeyNWQVMHBBKSXMNM-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.59
Rot. Bonds3

About 2-(3-aminophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one

2-(3-aminophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one (PubChem CID 106591659) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(3-aminophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name2-(3-aminophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
PubChem CID106591659
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(3-aminophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
SMILESCC(C(=O)N1CCOC(CO)C1)c1cccc(N)c1
InChIInChI=1S/C14H20N2O3/c1-10(11-3-2-4-12(15)7-11)14(18)16-5-6-19-13(8-16)9-17/h2-4,7,10,13,17H,5-6,8-9,15H2,1H3
InChIKeyNWQVMHBBKSXMNM-UHFFFAOYSA-N
XLogP0.59
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 2-(3-aminophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one (CID 106591659) is 2-(3-aminophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 2-(3-aminophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 2-(3-aminophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one is CC(C(=O)N1CCOC(CO)C1)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one?
The InChIKey is NWQVMHBBKSXMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(11-3-2-4-12(15)7-11)14(18)16-5-6-19-13(8-16)9-17/h2-4,7,10,13,17H,5-6,8-9,15H2,1H3.
What are the key properties of 2-(3-aminophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one?
2-(3-aminophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one has a molecular weight of 264.32 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 106591659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).