[5-amino-2-(2-methylpropylamino)phenyl]-pyrrolidin-1-ylmethanone

C15H23N3O — CID 100638822

IUPAC[5-amino-2-(2-methylpropylamino)phenyl]-pyrrolidin-1-ylmethanone
SMILESCC(C)CNc1ccc(N)cc1C(=O)N1CCCC1
InChIInChI=1S/C15H23N3O/c1-11(2)10-17-14-6-5-12(16)9-13(14)15(19)18-7-3-4-8-18/h5-6,9,11,17H,3-4,7-8,10,16H2,1-2H3
InChIKeyBWQHEHXOTSNHSQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.57
Rot. Bonds4

About [5-amino-2-(2-methylpropylamino)phenyl]-pyrrolidin-1-ylmethanone

[5-amino-2-(2-methylpropylamino)phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 100638822) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is [5-amino-2-(2-methylpropylamino)phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-amino-2-(2-methylpropylamino)phenyl]-pyrrolidin-1-ylmethanone
PubChem CID100638822
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name[5-amino-2-(2-methylpropylamino)phenyl]-pyrrolidin-1-ylmethanone
SMILESCC(C)CNc1ccc(N)cc1C(=O)N1CCCC1
InChIInChI=1S/C15H23N3O/c1-11(2)10-17-14-6-5-12(16)9-13(14)15(19)18-7-3-4-8-18/h5-6,9,11,17H,3-4,7-8,10,16H2,1-2H3
InChIKeyBWQHEHXOTSNHSQ-UHFFFAOYSA-N
XLogP2.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [5-amino-2-(2-methylpropylamino)phenyl]-pyrrolidin-1-ylmethanone 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

[5-amino-2-(methylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 100637847
[5-amino-2-(benzylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 100640718
methyl 5-amino-2-(2-methylpropylamino)benzoate
CID 61312657
[5-amino-2-(oxolan-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 133167182
[5-amino-2-(2,4-dimethylanilino)phenyl]-pyrrolidin-1-ylmethanone
CID 100643229
[5-amino-2-(naphthalen-1-ylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 100644540
5-amino-N-(2-methoxyethyl)-2-(2-methylpropylamino)benzamide
CID 100638798
[5-amino-2-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone
CID 102538189
(2,4-diaminophenyl)-pyrrolidin-1-ylmethanone
CID 61091444
azepan-1-yl-[2-(ethylamino)-5-methylphenyl]methanone
CID 55082793
[5-amino-2-(3-methoxyanilino)phenyl]-pyrrolidin-1-ylmethanone
CID 100648504
[5-amino-2-(3-bromoanilino)phenyl]-pyrrolidin-1-ylmethanone
CID 100645780

Frequently Asked Questions

What is the IUPAC name of [5-amino-2-(2-methylpropylamino)phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-amino-2-(2-methylpropylamino)phenyl]-pyrrolidin-1-ylmethanone (CID 100638822) is [5-amino-2-(2-methylpropylamino)phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-amino-2-(2-methylpropylamino)phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-amino-2-(2-methylpropylamino)phenyl]-pyrrolidin-1-ylmethanone is CC(C)CNc1ccc(N)cc1C(=O)N1CCCC1.
What is the InChIKey of [5-amino-2-(2-methylpropylamino)phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is BWQHEHXOTSNHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(2)10-17-14-6-5-12(16)9-13(14)15(19)18-7-3-4-8-18/h5-6,9,11,17H,3-4,7-8,10,16H2,1-2H3.
What are the key properties of [5-amino-2-(2-methylpropylamino)phenyl]-pyrrolidin-1-ylmethanone?
[5-amino-2-(2-methylpropylamino)phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 261.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-2-(2-methylpropylamino)phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 100638822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).