3-(2-methoxyphenyl)-1-(4-methyl-2-nitrophenyl)pyrrolidine

C18H20N2O3 — CID 133340622

IUPAC3-(2-methoxyphenyl)-1-(4-methyl-2-nitrophenyl)pyrrolidine
SMILESCOc1ccccc1C1CCN(c2ccc(C)cc2[N+](=O)[O-])C1
InChIInChI=1S/C18H20N2O3/c1-13-7-8-16(17(11-13)20(21)22)19-10-9-14(12-19)15-5-3-4-6-18(15)23-2/h3-8,11,14H,9-10,12H2,1-2H3
InChIKeyNFNKXOLGBLWGON-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.91
Rot. Bonds4

About 3-(2-methoxyphenyl)-1-(4-methyl-2-nitrophenyl)pyrrolidine

3-(2-methoxyphenyl)-1-(4-methyl-2-nitrophenyl)pyrrolidine (PubChem CID 133340622) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-(4-methyl-2-nitrophenyl)pyrrolidine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-(4-methyl-2-nitrophenyl)pyrrolidine
PubChem CID133340622
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-(2-methoxyphenyl)-1-(4-methyl-2-nitrophenyl)pyrrolidine
SMILESCOc1ccccc1C1CCN(c2ccc(C)cc2[N+](=O)[O-])C1
InChIInChI=1S/C18H20N2O3/c1-13-7-8-16(17(11-13)20(21)22)19-10-9-14(12-19)15-5-3-4-6-18(15)23-2/h3-8,11,14H,9-10,12H2,1-2H3
InChIKeyNFNKXOLGBLWGON-UHFFFAOYSA-N
XLogP3.91
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
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

[3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-4-nitrophenyl]methanol
CID 133437902
3-amino-3-[4-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitrophenyl]propan-1-ol
CID 170875036
3-[4-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitrophenyl]-N,N-dimethylpropan-1-amine
CID 170865873
1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine
CID 62067743
1-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitrophenyl]methyl]-2-phenylhydrazine
CID 169386634
2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitrophenyl]methylideneamino]guanidine
CID 168591757
(E)-3-[4-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitrophenyl]-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 6081278
N-methyl-1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine
CID 115300885
2-[4-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitrophenyl]-1H-benzimidazole
CID 168555318
(3R)-1-(4-methyl-2-nitrophenyl)piperidin-3-amine
CID 102985903
5-methoxy-2-(4-methyl-2-nitrophenyl)-3,4-dihydro-1H-isoquinoline
CID 133450332
2-[4-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitrophenyl]-3H-quinazolin-4-one
CID 168552811

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1-(4-methyl-2-nitrophenyl)pyrrolidine?
The IUPAC name of 3-(2-methoxyphenyl)-1-(4-methyl-2-nitrophenyl)pyrrolidine (CID 133340622) is 3-(2-methoxyphenyl)-1-(4-methyl-2-nitrophenyl)pyrrolidine.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-(4-methyl-2-nitrophenyl)pyrrolidine?
The canonical SMILES for 3-(2-methoxyphenyl)-1-(4-methyl-2-nitrophenyl)pyrrolidine is COc1ccccc1C1CCN(c2ccc(C)cc2[N+](=O)[O-])C1.
What is the InChIKey of 3-(2-methoxyphenyl)-1-(4-methyl-2-nitrophenyl)pyrrolidine?
The InChIKey is NFNKXOLGBLWGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-7-8-16(17(11-13)20(21)22)19-10-9-14(12-19)15-5-3-4-6-18(15)23-2/h3-8,11,14H,9-10,12H2,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)-1-(4-methyl-2-nitrophenyl)pyrrolidine?
3-(2-methoxyphenyl)-1-(4-methyl-2-nitrophenyl)pyrrolidine has a molecular weight of 312.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1-(4-methyl-2-nitrophenyl)pyrrolidine is sourced from PubChem (CID 133340622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).