N-(2-methyl-6-nitrophenyl)-1-phenylpyrrolidin-3-amine

C17H19N3O2 — CID 133292303

IUPACN-(2-methyl-6-nitrophenyl)-1-phenylpyrrolidin-3-amine
SMILESCc1cccc([N+](=O)[O-])c1NC1CCN(c2ccccc2)C1
InChIInChI=1S/C17H19N3O2/c1-13-6-5-9-16(20(21)22)17(13)18-14-10-11-19(12-14)15-7-3-2-4-8-15/h2-9,14,18H,10-12H2,1H3
InChIKeySNEATHOPOGUIIZ-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.59
Rot. Bonds4

About N-(2-methyl-6-nitrophenyl)-1-phenylpyrrolidin-3-amine

N-(2-methyl-6-nitrophenyl)-1-phenylpyrrolidin-3-amine (PubChem CID 133292303) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(2-methyl-6-nitrophenyl)-1-phenylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2-methyl-6-nitrophenyl)-1-phenylpyrrolidin-3-amine
PubChem CID133292303
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-(2-methyl-6-nitrophenyl)-1-phenylpyrrolidin-3-amine
SMILESCc1cccc([N+](=O)[O-])c1NC1CCN(c2ccccc2)C1
InChIInChI=1S/C17H19N3O2/c1-13-6-5-9-16(20(21)22)17(13)18-14-10-11-19(12-14)15-7-3-2-4-8-15/h2-9,14,18H,10-12H2,1H3
InChIKeySNEATHOPOGUIIZ-UHFFFAOYSA-N
XLogP3.59
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylcyclohexyl)-2-methyl-6-nitroaniline
CID 115551488
N-(2-methyl-6-nitrophenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 75419291
3-(2-methyl-6-nitroanilino)cyclohexane-1-carboxylic acid
CID 115551068
ethyl 4-(2-methyl-6-nitroanilino)piperidine-1-carboxylate
CID 22380652
N-methyl-3-nitro-4-[(1-phenylpyrrolidin-3-yl)amino]benzenesulfonamide
CID 133292246
1-tert-butyl-4-(2-methyl-6-nitroanilino)pyrrolidin-2-one
CID 133341840
2-(2-methoxyphenyl)-1-[4-(2-methyl-6-nitroanilino)piperidin-1-yl]ethanone
CID 133447440
trans-(1R,2R)-2-N-(2-methyl-6-nitrophenyl)cyclohexane-1,2-diamine
CID 102738826
2-(2-nitrophenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 60566297
4-methyl-3,5-dinitro-N-(1-phenylpiperidin-4-yl)benzamide
CID 86830350
1-ethyl-3-[1-(4-methylphenyl)pyrrolidin-3-yl]-2-[(2-nitrophenyl)methyl]guanidine
CID 111923749
2-(2-nitrophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 43064994

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-nitrophenyl)-1-phenylpyrrolidin-3-amine?
The IUPAC name of N-(2-methyl-6-nitrophenyl)-1-phenylpyrrolidin-3-amine (CID 133292303) is N-(2-methyl-6-nitrophenyl)-1-phenylpyrrolidin-3-amine.
What is the SMILES notation for N-(2-methyl-6-nitrophenyl)-1-phenylpyrrolidin-3-amine?
The canonical SMILES for N-(2-methyl-6-nitrophenyl)-1-phenylpyrrolidin-3-amine is Cc1cccc([N+](=O)[O-])c1NC1CCN(c2ccccc2)C1.
What is the InChIKey of N-(2-methyl-6-nitrophenyl)-1-phenylpyrrolidin-3-amine?
The InChIKey is SNEATHOPOGUIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-13-6-5-9-16(20(21)22)17(13)18-14-10-11-19(12-14)15-7-3-2-4-8-15/h2-9,14,18H,10-12H2,1H3.
What are the key properties of N-(2-methyl-6-nitrophenyl)-1-phenylpyrrolidin-3-amine?
N-(2-methyl-6-nitrophenyl)-1-phenylpyrrolidin-3-amine has a molecular weight of 297.36 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-nitrophenyl)-1-phenylpyrrolidin-3-amine is sourced from PubChem (CID 133292303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).