N-[(2-methoxy-5-nitrophenyl)methyl]-N-propylpyrrolidin-3-amine

C15H23N3O3 — CID 63304118

IUPACN-[(2-methoxy-5-nitrophenyl)methyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(Cc1cc([N+](=O)[O-])ccc1OC)C1CCNC1
InChIInChI=1S/C15H23N3O3/c1-3-8-17(14-6-7-16-10-14)11-12-9-13(18(19)20)4-5-15(12)21-2/h4-5,9,14,16H,3,6-8,10-11H2,1-2H3
InChIKeyPPEGUZHMGCTEKY-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.18
Rot. Bonds7

About N-[(2-methoxy-5-nitrophenyl)methyl]-N-propylpyrrolidin-3-amine

N-[(2-methoxy-5-nitrophenyl)methyl]-N-propylpyrrolidin-3-amine (PubChem CID 63304118) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[(2-methoxy-5-nitrophenyl)methyl]-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(2-methoxy-5-nitrophenyl)methyl]-N-propylpyrrolidin-3-amine
PubChem CID63304118
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-[(2-methoxy-5-nitrophenyl)methyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(Cc1cc([N+](=O)[O-])ccc1OC)C1CCNC1
InChIInChI=1S/C15H23N3O3/c1-3-8-17(14-6-7-16-10-14)11-12-9-13(18(19)20)4-5-15(12)21-2/h4-5,9,14,16H,3,6-8,10-11H2,1-2H3
InChIKeyPPEGUZHMGCTEKY-UHFFFAOYSA-N
XLogP2.18
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-[(3-nitrophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921376
N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913258
N-[(4-bromo-2,5-dimethoxyphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63304716
N-[(3-nitrophenyl)methyl]-N-propylpiperidin-4-amine
CID 60805967
N-[(5-nitrofuran-2-yl)methyl]-N-propylpyrrolidin-3-amine
CID 63301113
N-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]pyrrolidin-3-amine
CID 63299916
2-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976314
N-[(2-ethylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300786
1-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-methoxyphenyl]ethanone
CID 63299582
4-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 63304533
N-[(3-bromo-5-nitrophenyl)methyl]-N-propylpiperidin-3-amine
CID 103351310
2-chloro-5-nitro-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300545

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-nitrophenyl)methyl]-N-propylpyrrolidin-3-amine?
The IUPAC name of N-[(2-methoxy-5-nitrophenyl)methyl]-N-propylpyrrolidin-3-amine (CID 63304118) is N-[(2-methoxy-5-nitrophenyl)methyl]-N-propylpyrrolidin-3-amine.
What is the SMILES notation for N-[(2-methoxy-5-nitrophenyl)methyl]-N-propylpyrrolidin-3-amine?
The canonical SMILES for N-[(2-methoxy-5-nitrophenyl)methyl]-N-propylpyrrolidin-3-amine is CCCN(Cc1cc([N+](=O)[O-])ccc1OC)C1CCNC1.
What is the InChIKey of N-[(2-methoxy-5-nitrophenyl)methyl]-N-propylpyrrolidin-3-amine?
The InChIKey is PPEGUZHMGCTEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-8-17(14-6-7-16-10-14)11-12-9-13(18(19)20)4-5-15(12)21-2/h4-5,9,14,16H,3,6-8,10-11H2,1-2H3.
What are the key properties of N-[(2-methoxy-5-nitrophenyl)methyl]-N-propylpyrrolidin-3-amine?
N-[(2-methoxy-5-nitrophenyl)methyl]-N-propylpyrrolidin-3-amine has a molecular weight of 293.37 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5-nitrophenyl)methyl]-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 63304118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).