(4-amino-3-methylphenyl)-morpholin-4-ylmethanone

C12H16N2O2 — CID 16777493

IUPAC(4-amino-3-methylphenyl)-morpholin-4-ylmethanone
SMILESCc1cc(C(=O)N2CCOCC2)ccc1N
InChIInChI=1S/C12H16N2O2/c1-9-8-10(2-3-11(9)13)12(15)14-4-6-16-7-5-14/h2-3,8H,4-7,13H2,1H3
InChIKeyDOPYUBBZBYVKGA-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.05
Rot. Bonds1

About (4-amino-3-methylphenyl)-morpholin-4-ylmethanone

(4-amino-3-methylphenyl)-morpholin-4-ylmethanone (PubChem CID 16777493) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (4-amino-3-methylphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-amino-3-methylphenyl)-morpholin-4-ylmethanone
PubChem CID16777493
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(4-amino-3-methylphenyl)-morpholin-4-ylmethanone
SMILESCc1cc(C(=O)N2CCOCC2)ccc1N
InChIInChI=1S/C12H16N2O2/c1-9-8-10(2-3-11(9)13)12(15)14-4-6-16-7-5-14/h2-3,8H,4-7,13H2,1H3
InChIKeyDOPYUBBZBYVKGA-UHFFFAOYSA-N
XLogP1.05
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylphenyl)-morpholin-4-ylmethanone?
The IUPAC name of (4-amino-3-methylphenyl)-morpholin-4-ylmethanone (CID 16777493) is (4-amino-3-methylphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-amino-3-methylphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-amino-3-methylphenyl)-morpholin-4-ylmethanone is Cc1cc(C(=O)N2CCOCC2)ccc1N.
What is the InChIKey of (4-amino-3-methylphenyl)-morpholin-4-ylmethanone?
The InChIKey is DOPYUBBZBYVKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-8-10(2-3-11(9)13)12(15)14-4-6-16-7-5-14/h2-3,8H,4-7,13H2,1H3.
What are the key properties of (4-amino-3-methylphenyl)-morpholin-4-ylmethanone?
(4-amino-3-methylphenyl)-morpholin-4-ylmethanone has a molecular weight of 220.27 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 16777493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).