[5-amino-2-(dimethylamino)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone

C15H24N4O — CID 63165923

IUPAC[5-amino-2-(dimethylamino)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCN(C)c1ccc(N)cc1C(=O)N1CCC(N(C)C)C1
InChIInChI=1S/C15H24N4O/c1-17(2)12-7-8-19(10-12)15(20)13-9-11(16)5-6-14(13)18(3)4/h5-6,9,12H,7-8,10,16H2,1-4H3
InChIKeyWCBIHLZVRYZCBZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.11
Rot. Bonds3

About [5-amino-2-(dimethylamino)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone

[5-amino-2-(dimethylamino)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone (PubChem CID 63165923) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is [5-amino-2-(dimethylamino)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-amino-2-(dimethylamino)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
PubChem CID63165923
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name[5-amino-2-(dimethylamino)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCN(C)c1ccc(N)cc1C(=O)N1CCC(N(C)C)C1
InChIInChI=1S/C15H24N4O/c1-17(2)12-7-8-19(10-12)15(20)13-9-11(16)5-6-14(13)18(3)4/h5-6,9,12H,7-8,10,16H2,1-4H3
InChIKeyWCBIHLZVRYZCBZ-UHFFFAOYSA-N
XLogP1.11
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.11
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]-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916446
[5-amino-2-(dimethylamino)phenyl]-piperidin-1-ylmethanone
CID 61091481
[5-amino-2-(dimethylamino)phenyl]-morpholin-4-ylmethanone
CID 16639867
(5-amino-2-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 43585610
[3-(dimethylamino)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 110472052
(2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 110472965
(5-chloro-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63165270
[3-(dimethylamino)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 79881812
[5-amino-2-(diethylamino)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 91683055
(2,4-diaminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63168429
(4-bromo-2-methylphenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 69150661
5-amino-N-cyclopropyl-2-(dimethylamino)-N-ethylbenzamide
CID 61095548

Frequently Asked Questions

What is the IUPAC name of [5-amino-2-(dimethylamino)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-amino-2-(dimethylamino)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone (CID 63165923) is [5-amino-2-(dimethylamino)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-amino-2-(dimethylamino)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-amino-2-(dimethylamino)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone is CN(C)c1ccc(N)cc1C(=O)N1CCC(N(C)C)C1.
What is the InChIKey of [5-amino-2-(dimethylamino)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is WCBIHLZVRYZCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-17(2)12-7-8-19(10-12)15(20)13-9-11(16)5-6-14(13)18(3)4/h5-6,9,12H,7-8,10,16H2,1-4H3.
What are the key properties of [5-amino-2-(dimethylamino)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
[5-amino-2-(dimethylamino)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 276.38 g/mol, XLogP of 1.11, 3 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]-[3-(dimethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 63165923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).