3-methyl-1-[[3-nitro-4-(propylamino)phenyl]methyl]pyrrolidin-3-ol

C15H23N3O3 — CID 103358292

IUPAC3-methyl-1-[[3-nitro-4-(propylamino)phenyl]methyl]pyrrolidin-3-ol
SMILESCCCNc1ccc(CN2CCC(C)(O)C2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O3/c1-3-7-16-13-5-4-12(9-14(13)18(20)21)10-17-8-6-15(2,19)11-17/h4-5,9,16,19H,3,6-8,10-11H2,1-2H3
InChIKeyXKYGFHJDIIGLOK-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.37
Rot. Bonds6

About 3-methyl-1-[[3-nitro-4-(propylamino)phenyl]methyl]pyrrolidin-3-ol

3-methyl-1-[[3-nitro-4-(propylamino)phenyl]methyl]pyrrolidin-3-ol (PubChem CID 103358292) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-methyl-1-[[3-nitro-4-(propylamino)phenyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-[[3-nitro-4-(propylamino)phenyl]methyl]pyrrolidin-3-ol
PubChem CID103358292
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-methyl-1-[[3-nitro-4-(propylamino)phenyl]methyl]pyrrolidin-3-ol
SMILESCCCNc1ccc(CN2CCC(C)(O)C2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O3/c1-3-7-16-13-5-4-12(9-14(13)18(20)21)10-17-8-6-15(2,19)11-17/h4-5,9,16,19H,3,6-8,10-11H2,1-2H3
InChIKeyXKYGFHJDIIGLOK-UHFFFAOYSA-N
XLogP2.37
TPSA78.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-methyl-1-[[3-nitro-4-(propylamino)phenyl]methyl]pyrrolidin-3-ol 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

1-[[4-(ethylamino)-3-nitrophenyl]methyl]-4-methylpiperidin-4-ol
CID 81097349
2-nitro-N-propyl-4-(thiomorpholin-4-ylmethyl)aniline
CID 62177701
1-[(4-chloro-3-nitrophenyl)methyl]-3-methylpiperidin-3-ol
CID 115873581
4-(azocan-1-ylmethyl)-N-ethyl-2-nitroaniline
CID 62183054
4-[(2-ethylpyrrolidin-1-yl)methyl]-2-nitro-N-propylaniline
CID 62177327
1-[[3-nitro-4-(propylamino)phenyl]methyl]pyrimidin-2-one
CID 62207614
1-[[4-(ethylamino)-3-nitrophenyl]methyl]pyrrolidin-3-ol
CID 62941360
N-methyl-2-nitro-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]aniline
CID 63633903
[4-(ethylamino)-3-nitrophenyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103358178
4-[[methyl(propyl)amino]methyl]-2-nitro-N-propylaniline
CID 62183615
N-ethyl-4-[(3-methylpyrrolidin-1-yl)methyl]-2-nitroaniline
CID 55046125
2-nitro-4-(propan-2-yloxymethyl)-N-propylaniline
CID 62194983

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[3-nitro-4-(propylamino)phenyl]methyl]pyrrolidin-3-ol?
The IUPAC name of 3-methyl-1-[[3-nitro-4-(propylamino)phenyl]methyl]pyrrolidin-3-ol (CID 103358292) is 3-methyl-1-[[3-nitro-4-(propylamino)phenyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-methyl-1-[[3-nitro-4-(propylamino)phenyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-methyl-1-[[3-nitro-4-(propylamino)phenyl]methyl]pyrrolidin-3-ol is CCCNc1ccc(CN2CCC(C)(O)C2)cc1[N+](=O)[O-].
What is the InChIKey of 3-methyl-1-[[3-nitro-4-(propylamino)phenyl]methyl]pyrrolidin-3-ol?
The InChIKey is XKYGFHJDIIGLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-7-16-13-5-4-12(9-14(13)18(20)21)10-17-8-6-15(2,19)11-17/h4-5,9,16,19H,3,6-8,10-11H2,1-2H3.
What are the key properties of 3-methyl-1-[[3-nitro-4-(propylamino)phenyl]methyl]pyrrolidin-3-ol?
3-methyl-1-[[3-nitro-4-(propylamino)phenyl]methyl]pyrrolidin-3-ol has a molecular weight of 293.37 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[3-nitro-4-(propylamino)phenyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 103358292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).