2-methoxy-4-N-morpholin-4-ylbenzene-1,4-diamine

C11H17N3O2 — CID 83005812

IUPAC2-methoxy-4-N-morpholin-4-ylbenzene-1,4-diamine
SMILESCOc1cc(NN2CCOCC2)ccc1N
InChIInChI=1S/C11H17N3O2/c1-15-11-8-9(2-3-10(11)12)13-14-4-6-16-7-5-14/h2-3,8,13H,4-7,12H2,1H3
InChIKeyDFNQALCUYHSKSF-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.94
Rot. Bonds3

About 2-methoxy-4-N-morpholin-4-ylbenzene-1,4-diamine

2-methoxy-4-N-morpholin-4-ylbenzene-1,4-diamine (PubChem CID 83005812) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-methoxy-4-N-morpholin-4-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-methoxy-4-N-morpholin-4-ylbenzene-1,4-diamine
PubChem CID83005812
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-methoxy-4-N-morpholin-4-ylbenzene-1,4-diamine
SMILESCOc1cc(NN2CCOCC2)ccc1N
InChIInChI=1S/C11H17N3O2/c1-15-11-8-9(2-3-10(11)12)13-14-4-6-16-7-5-14/h2-3,8,13H,4-7,12H2,1H3
InChIKeyDFNQALCUYHSKSF-UHFFFAOYSA-N
XLogP0.94
TPSA59.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methoxy-4-N-morpholin-4-ylbenzene-1,4-diamine?
The IUPAC name of 2-methoxy-4-N-morpholin-4-ylbenzene-1,4-diamine (CID 83005812) is 2-methoxy-4-N-morpholin-4-ylbenzene-1,4-diamine.
What is the SMILES notation for 2-methoxy-4-N-morpholin-4-ylbenzene-1,4-diamine?
The canonical SMILES for 2-methoxy-4-N-morpholin-4-ylbenzene-1,4-diamine is COc1cc(NN2CCOCC2)ccc1N.
What is the InChIKey of 2-methoxy-4-N-morpholin-4-ylbenzene-1,4-diamine?
The InChIKey is DFNQALCUYHSKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-15-11-8-9(2-3-10(11)12)13-14-4-6-16-7-5-14/h2-3,8,13H,4-7,12H2,1H3.
What are the key properties of 2-methoxy-4-N-morpholin-4-ylbenzene-1,4-diamine?
2-methoxy-4-N-morpholin-4-ylbenzene-1,4-diamine has a molecular weight of 223.28 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-N-morpholin-4-ylbenzene-1,4-diamine is sourced from PubChem (CID 83005812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).