(3,5-diaminophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone

C14H21N3O2 — CID 61093877

IUPAC(3,5-diaminophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
SMILESCCC1COC(C)CN1C(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C14H21N3O2/c1-3-13-8-19-9(2)7-17(13)14(18)10-4-11(15)6-12(16)5-10/h4-6,9,13H,3,7-8,15-16H2,1-2H3
InChIKeyDBLJUGGQDBAZOC-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.49
Rot. Bonds2

About (3,5-diaminophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone

(3,5-diaminophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone (PubChem CID 61093877) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (3,5-diaminophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3,5-diaminophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
PubChem CID61093877
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(3,5-diaminophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
SMILESCCC1COC(C)CN1C(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C14H21N3O2/c1-3-13-8-19-9(2)7-17(13)14(18)10-4-11(15)6-12(16)5-10/h4-6,9,13H,3,7-8,15-16H2,1-2H3
InChIKeyDBLJUGGQDBAZOC-UHFFFAOYSA-N
XLogP1.49
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.49
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 (3,5-diaminophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The IUPAC name of (3,5-diaminophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone (CID 61093877) is (3,5-diaminophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (3,5-diaminophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The canonical SMILES for (3,5-diaminophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone is CCC1COC(C)CN1C(=O)c1cc(N)cc(N)c1.
What is the InChIKey of (3,5-diaminophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The InChIKey is DBLJUGGQDBAZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-13-8-19-9(2)7-17(13)14(18)10-4-11(15)6-12(16)5-10/h4-6,9,13H,3,7-8,15-16H2,1-2H3.
What are the key properties of (3,5-diaminophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone?
(3,5-diaminophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diaminophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 61093877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).