4-methyl-5-morpholin-4-ylbenzene-1,2-diamine

C11H17N3O — CID 54371307

IUPAC4-methyl-5-morpholin-4-ylbenzene-1,2-diamine
SMILESCc1cc(N)c(N)cc1N1CCOCC1
InChIInChI=1S/C11H17N3O/c1-8-6-9(12)10(13)7-11(8)14-2-4-15-5-3-14/h6-7H,2-5,12-13H2,1H3
InChIKeyUTKDYUBVIXWQLJ-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.00
Rot. Bonds1

About 4-methyl-5-morpholin-4-ylbenzene-1,2-diamine

4-methyl-5-morpholin-4-ylbenzene-1,2-diamine (PubChem CID 54371307) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-methyl-5-morpholin-4-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-methyl-5-morpholin-4-ylbenzene-1,2-diamine
PubChem CID54371307
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-methyl-5-morpholin-4-ylbenzene-1,2-diamine
SMILESCc1cc(N)c(N)cc1N1CCOCC1
InChIInChI=1S/C11H17N3O/c1-8-6-9(12)10(13)7-11(8)14-2-4-15-5-3-14/h6-7H,2-5,12-13H2,1H3
InChIKeyUTKDYUBVIXWQLJ-UHFFFAOYSA-N
XLogP1.00
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methyl-5-morpholin-4-ylbenzene-1,2-diamine?
The IUPAC name of 4-methyl-5-morpholin-4-ylbenzene-1,2-diamine (CID 54371307) is 4-methyl-5-morpholin-4-ylbenzene-1,2-diamine.
What is the SMILES notation for 4-methyl-5-morpholin-4-ylbenzene-1,2-diamine?
The canonical SMILES for 4-methyl-5-morpholin-4-ylbenzene-1,2-diamine is Cc1cc(N)c(N)cc1N1CCOCC1.
What is the InChIKey of 4-methyl-5-morpholin-4-ylbenzene-1,2-diamine?
The InChIKey is UTKDYUBVIXWQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-6-9(12)10(13)7-11(8)14-2-4-15-5-3-14/h6-7H,2-5,12-13H2,1H3.
What are the key properties of 4-methyl-5-morpholin-4-ylbenzene-1,2-diamine?
4-methyl-5-morpholin-4-ylbenzene-1,2-diamine has a molecular weight of 207.28 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-morpholin-4-ylbenzene-1,2-diamine is sourced from PubChem (CID 54371307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).