4-morpholin-4-ylbenzene-1,3-diamine

C10H15N3O — CID 808760

IUPAC4-morpholin-4-ylbenzene-1,3-diamine
SMILESNc1ccc(N2CCOCC2)c(N)c1
InChIInChI=1S/C10H15N3O/c11-8-1-2-10(9(12)7-8)13-3-5-14-6-4-13/h1-2,7H,3-6,11-12H2
InChIKeyJCYCUIPSHRUWLN-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.69
Rot. Bonds1

About 4-morpholin-4-ylbenzene-1,3-diamine

4-morpholin-4-ylbenzene-1,3-diamine (PubChem CID 808760) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-morpholin-4-ylbenzene-1,3-diamine.

Molecular Properties

Compound Name4-morpholin-4-ylbenzene-1,3-diamine
PubChem CID808760
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-morpholin-4-ylbenzene-1,3-diamine
SMILESNc1ccc(N2CCOCC2)c(N)c1
InChIInChI=1S/C10H15N3O/c11-8-1-2-10(9(12)7-8)13-3-5-14-6-4-13/h1-2,7H,3-6,11-12H2
InChIKeyJCYCUIPSHRUWLN-UHFFFAOYSA-N
XLogP0.69
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-morpholin-4-ylbenzene-1,3-diamine?
The IUPAC name of 4-morpholin-4-ylbenzene-1,3-diamine (CID 808760) is 4-morpholin-4-ylbenzene-1,3-diamine.
What is the SMILES notation for 4-morpholin-4-ylbenzene-1,3-diamine?
The canonical SMILES for 4-morpholin-4-ylbenzene-1,3-diamine is Nc1ccc(N2CCOCC2)c(N)c1.
What is the InChIKey of 4-morpholin-4-ylbenzene-1,3-diamine?
The InChIKey is JCYCUIPSHRUWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c11-8-1-2-10(9(12)7-8)13-3-5-14-6-4-13/h1-2,7H,3-6,11-12H2.
What are the key properties of 4-morpholin-4-ylbenzene-1,3-diamine?
4-morpholin-4-ylbenzene-1,3-diamine has a molecular weight of 193.25 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylbenzene-1,3-diamine is sourced from PubChem (CID 808760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).