[5-amino-2-(dimethylamino)phenyl]-morpholin-4-ylmethanone

C13H19N3O2 — CID 16639867

IUPAC[5-amino-2-(dimethylamino)phenyl]-morpholin-4-ylmethanone
SMILESCN(C)c1ccc(N)cc1C(=O)N1CCOCC1
InChIInChI=1S/C13H19N3O2/c1-15(2)12-4-3-10(14)9-11(12)13(17)16-5-7-18-8-6-16/h3-4,9H,5-8,14H2,1-2H3
InChIKeyDMZMKXJCGHJUBE-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.81
Rot. Bonds2

About [5-amino-2-(dimethylamino)phenyl]-morpholin-4-ylmethanone

[5-amino-2-(dimethylamino)phenyl]-morpholin-4-ylmethanone (PubChem CID 16639867) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is [5-amino-2-(dimethylamino)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-amino-2-(dimethylamino)phenyl]-morpholin-4-ylmethanone
PubChem CID16639867
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name[5-amino-2-(dimethylamino)phenyl]-morpholin-4-ylmethanone
SMILESCN(C)c1ccc(N)cc1C(=O)N1CCOCC1
InChIInChI=1S/C13H19N3O2/c1-15(2)12-4-3-10(14)9-11(12)13(17)16-5-7-18-8-6-16/h3-4,9H,5-8,14H2,1-2H3
InChIKeyDMZMKXJCGHJUBE-UHFFFAOYSA-N
XLogP0.81
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.81
H-Bond Donors ≤ 51
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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Related Compounds

[5-amino-2-(dimethylamino)phenyl]-piperidin-1-ylmethanone
CID 61091481
[5-amino-2-(dimethylamino)phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106773568
[5-amino-2-(dimethylamino)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63165923
[5-amino-2-(dimethylamino)phenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916446
5-amino-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]benzoic acid
CID 63116489
[5-amino-2-(dipropylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 91683050
[5-amino-2-(dipropylamino)phenyl]-piperidin-1-ylmethanone
CID 91683043
[5-amino-2-(diethylamino)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 91683055
[4-(dimethylamino)-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone
CID 145213413
(5-amino-2-methylphenyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 120642716
(5-amino-1H-indazol-3-yl)-morpholin-4-ylmethanone
CID 54944614
(2-amino-1H-pyrrol-3-yl)-morpholin-4-ylmethanone
CID 117213589

Frequently Asked Questions

What is the IUPAC name of [5-amino-2-(dimethylamino)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-amino-2-(dimethylamino)phenyl]-morpholin-4-ylmethanone (CID 16639867) is [5-amino-2-(dimethylamino)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-amino-2-(dimethylamino)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-amino-2-(dimethylamino)phenyl]-morpholin-4-ylmethanone is CN(C)c1ccc(N)cc1C(=O)N1CCOCC1.
What is the InChIKey of [5-amino-2-(dimethylamino)phenyl]-morpholin-4-ylmethanone?
The InChIKey is DMZMKXJCGHJUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-15(2)12-4-3-10(14)9-11(12)13(17)16-5-7-18-8-6-16/h3-4,9H,5-8,14H2,1-2H3.
What are the key properties of [5-amino-2-(dimethylamino)phenyl]-morpholin-4-ylmethanone?
[5-amino-2-(dimethylamino)phenyl]-morpholin-4-ylmethanone has a molecular weight of 249.31 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-2-(dimethylamino)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 16639867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).