3-methyl-4-morpholin-4-ylaniline

C11H16N2O — CID 10607787

IUPAC3-methyl-4-morpholin-4-ylaniline
SMILESCc1cc(N)ccc1N1CCOCC1
InChIInChI=1S/C11H16N2O/c1-9-8-10(12)2-3-11(9)13-4-6-14-7-5-13/h2-3,8H,4-7,12H2,1H3
InChIKeyKNOTXXUXSBIPQW-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.41
Rot. Bonds1

About 3-methyl-4-morpholin-4-ylaniline

3-methyl-4-morpholin-4-ylaniline (PubChem CID 10607787) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-methyl-4-morpholin-4-ylaniline.

Molecular Properties

Compound Name3-methyl-4-morpholin-4-ylaniline
PubChem CID10607787
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-methyl-4-morpholin-4-ylaniline
SMILESCc1cc(N)ccc1N1CCOCC1
InChIInChI=1S/C11H16N2O/c1-9-8-10(12)2-3-11(9)13-4-6-14-7-5-13/h2-3,8H,4-7,12H2,1H3
InChIKeyKNOTXXUXSBIPQW-UHFFFAOYSA-N
XLogP1.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-morpholin-4-ylaniline?
The IUPAC name of 3-methyl-4-morpholin-4-ylaniline (CID 10607787) is 3-methyl-4-morpholin-4-ylaniline.
What is the SMILES notation for 3-methyl-4-morpholin-4-ylaniline?
The canonical SMILES for 3-methyl-4-morpholin-4-ylaniline is Cc1cc(N)ccc1N1CCOCC1.
What is the InChIKey of 3-methyl-4-morpholin-4-ylaniline?
The InChIKey is KNOTXXUXSBIPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9-8-10(12)2-3-11(9)13-4-6-14-7-5-13/h2-3,8H,4-7,12H2,1H3.
What are the key properties of 3-methyl-4-morpholin-4-ylaniline?
3-methyl-4-morpholin-4-ylaniline has a molecular weight of 192.26 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-morpholin-4-ylaniline is sourced from PubChem (CID 10607787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).