(4-morpholin-4-ylphenyl)methanamine

C11H16N2O — CID 2776458

IUPAC(4-morpholin-4-ylphenyl)methanamine
SMILESNCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C11H16N2O/c12-9-10-1-3-11(4-2-10)13-5-7-14-8-6-13/h1-4H,5-9,12H2
InChIKeyLTILPSKZXNIITC-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.98
Rot. Bonds2

About (4-morpholin-4-ylphenyl)methanamine

(4-morpholin-4-ylphenyl)methanamine (PubChem CID 2776458) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (4-morpholin-4-ylphenyl)methanamine.

Molecular Properties

Compound Name(4-morpholin-4-ylphenyl)methanamine
PubChem CID2776458
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(4-morpholin-4-ylphenyl)methanamine
SMILESNCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C11H16N2O/c12-9-10-1-3-11(4-2-10)13-5-7-14-8-6-13/h1-4H,5-9,12H2
InChIKeyLTILPSKZXNIITC-UHFFFAOYSA-N
XLogP0.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-ylphenyl)methanamine?
The IUPAC name of (4-morpholin-4-ylphenyl)methanamine (CID 2776458) is (4-morpholin-4-ylphenyl)methanamine.
What is the SMILES notation for (4-morpholin-4-ylphenyl)methanamine?
The canonical SMILES for (4-morpholin-4-ylphenyl)methanamine is NCc1ccc(N2CCOCC2)cc1.
What is the InChIKey of (4-morpholin-4-ylphenyl)methanamine?
The InChIKey is LTILPSKZXNIITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-9-10-1-3-11(4-2-10)13-5-7-14-8-6-13/h1-4H,5-9,12H2.
What are the key properties of (4-morpholin-4-ylphenyl)methanamine?
(4-morpholin-4-ylphenyl)methanamine has a molecular weight of 192.26 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-ylphenyl)methanamine is sourced from PubChem (CID 2776458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).