(3,5-diaminophenyl)-(2,2-dimethylmorpholin-4-yl)methanone

C13H19N3O2 — CID 61093702

IUPAC(3,5-diaminophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2cc(N)cc(N)c2)CCO1
InChIInChI=1S/C13H19N3O2/c1-13(2)8-16(3-4-18-13)12(17)9-5-10(14)7-11(15)6-9/h5-7H,3-4,8,14-15H2,1-2H3
InChIKeyMPNHJDIDAFIILC-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.10
Rot. Bonds1

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

(3,5-diaminophenyl)-(2,2-dimethylmorpholin-4-yl)methanone (PubChem CID 61093702) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3,5-diaminophenyl)-(2,2-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3,5-diaminophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
PubChem CID61093702
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(3,5-diaminophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2cc(N)cc(N)c2)CCO1
InChIInChI=1S/C13H19N3O2/c1-13(2)8-16(3-4-18-13)12(17)9-5-10(14)7-11(15)6-9/h5-7H,3-4,8,14-15H2,1-2H3
InChIKeyMPNHJDIDAFIILC-UHFFFAOYSA-N
XLogP1.10
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetylphenyl)morpholine-4-carboxamide
CID 671267
2-Amino-N-[3-(morpholin-4-yl)propyl]benzamide
CID 2306528
2-(Morpholine-4-carbonyl)aniline
CID 726276
3-(Morpholine-4-carbonyl)aniline
CID 6485064
3-amino-N,N-diethylbenzamide
CID 268126
4-[(2,6-Dimethylmorpholin-4-yl)carbonyl]aniline
CID 577562
4-(Morpholine-4-carbonyl)aniline
CID 577815
4-(3,5-Dinitrobenzoyl)morpholine
CID 351139
N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 764686
4-methyl-N-[3-(4-morpholinylcarbonyl)phenyl]benzamide
CID 2221314
(3-Aminophenyl)(piperidin-1-yl)methanone
CID 609056
2-ethyl-N-[3-(morpholine-4-carbonyl)phenyl]butanamide
CID 974088

Frequently Asked Questions

What is the IUPAC name of (3,5-diaminophenyl)-(2,2-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (3,5-diaminophenyl)-(2,2-dimethylmorpholin-4-yl)methanone (CID 61093702) is (3,5-diaminophenyl)-(2,2-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (3,5-diaminophenyl)-(2,2-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (3,5-diaminophenyl)-(2,2-dimethylmorpholin-4-yl)methanone is CC1(C)CN(C(=O)c2cc(N)cc(N)c2)CCO1.
What is the InChIKey of (3,5-diaminophenyl)-(2,2-dimethylmorpholin-4-yl)methanone?
The InChIKey is MPNHJDIDAFIILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(2)8-16(3-4-18-13)12(17)9-5-10(14)7-11(15)6-9/h5-7H,3-4,8,14-15H2,1-2H3.
What are the key properties of (3,5-diaminophenyl)-(2,2-dimethylmorpholin-4-yl)methanone?
(3,5-diaminophenyl)-(2,2-dimethylmorpholin-4-yl)methanone has a molecular weight of 249.31 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diaminophenyl)-(2,2-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 61093702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).