(2-amino-3-methylphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone

C15H23N3O — CID 81458828

IUPAC(2-amino-3-methylphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CC(C)C(N(C)C)C2)c1N
InChIInChI=1S/C15H23N3O/c1-10-6-5-7-12(14(10)16)15(19)18-8-11(2)13(9-18)17(3)4/h5-7,11,13H,8-9,16H2,1-4H3
InChIKeyZFKFOPXFESNHBA-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.60
Rot. Bonds2

About (2-amino-3-methylphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone

(2-amino-3-methylphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone (PubChem CID 81458828) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (2-amino-3-methylphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-3-methylphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
PubChem CID81458828
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(2-amino-3-methylphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CC(C)C(N(C)C)C2)c1N
InChIInChI=1S/C15H23N3O/c1-10-6-5-7-12(14(10)16)15(19)18-8-11(2)13(9-18)17(3)4/h5-7,11,13H,8-9,16H2,1-4H3
InChIKeyZFKFOPXFESNHBA-UHFFFAOYSA-N
XLogP1.60
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-amino-3-methylphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82829048
(2-amino-3-methylphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114677500
(2-chloro-3-pyridinyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 79026054
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[3-fluoro-2-(methylamino)phenyl]methanone
CID 81475543
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
CID 104615194
(2-amino-3-methylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102954936
5-[(3S,4S)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-2,4-dimethylbenzenesulfonamide
CID 96513249
(6-amino-1,3-benzodioxol-5-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 103543301
(2-amino-3-methylphenyl)-(4-sulfanylpiperidin-1-yl)methanone
CID 142233688
(2-chlorofuran-3-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 106687066
(2S)-8-[(3S,4S)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 129470978
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone
CID 154749248

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methylphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
The IUPAC name of (2-amino-3-methylphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone (CID 81458828) is (2-amino-3-methylphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-amino-3-methylphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for (2-amino-3-methylphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone is Cc1cccc(C(=O)N2CC(C)C(N(C)C)C2)c1N.
What is the InChIKey of (2-amino-3-methylphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
The InChIKey is ZFKFOPXFESNHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10-6-5-7-12(14(10)16)15(19)18-8-11(2)13(9-18)17(3)4/h5-7,11,13H,8-9,16H2,1-4H3.
What are the key properties of (2-amino-3-methylphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
(2-amino-3-methylphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone has a molecular weight of 261.37 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-methylphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 81458828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).