1-[(4-methoxy-3-nitrophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine

C19H22N2O4 — CID 87013517

IUPAC1-[(4-methoxy-3-nitrophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine
SMILESCOc1ccc(C2CCCN2Cc2ccc(OC)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H22N2O4/c1-24-16-8-6-15(7-9-16)17-4-3-11-20(17)13-14-5-10-19(25-2)18(12-14)21(22)23/h5-10,12,17H,3-4,11,13H2,1-2H3
InChIKeyKDZBVNLQCZAXAV-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.95
Rot. Bonds6

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

1-[(4-methoxy-3-nitrophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine (PubChem CID 87013517) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[(4-methoxy-3-nitrophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name1-[(4-methoxy-3-nitrophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine
PubChem CID87013517
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name1-[(4-methoxy-3-nitrophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine
SMILESCOc1ccc(C2CCCN2Cc2ccc(OC)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H22N2O4/c1-24-16-8-6-15(7-9-16)17-4-3-11-20(17)13-14-5-10-19(25-2)18(12-14)21(22)23/h5-10,12,17H,3-4,11,13H2,1-2H3
InChIKeyKDZBVNLQCZAXAV-UHFFFAOYSA-N
XLogP3.95
TPSA64.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.95
H-Bond Donors ≤ 50
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

1-[(4-methoxy-3-nitrophenyl)methyl]-2-thiophen-3-ylpyrrolidine
CID 71891998
2-(4-methoxyphenyl)-1-[(3-nitrophenyl)methyl]pyrrolidine
CID 46266484
2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 20895862
1-[(4-methoxy-3-nitrophenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910353
3-[1-[(4-methoxy-3-nitrophenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62466930
(4-methoxy-3-nitrophenyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 51253887
[1-[(4-methoxy-3-nitrophenyl)methyl]azepan-2-yl]methanol
CID 116637425
[4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]phenyl]methanol
CID 110008065
1-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine
CID 20895836
2-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidine
CID 134001112
4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyridine
CID 127245045
1-(1-ethylpyrrolidin-2-yl)-N-[(4-methoxy-3-nitrophenyl)methyl]methanamine
CID 43096827

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-3-nitrophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine?
The IUPAC name of 1-[(4-methoxy-3-nitrophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine (CID 87013517) is 1-[(4-methoxy-3-nitrophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 1-[(4-methoxy-3-nitrophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine?
The canonical SMILES for 1-[(4-methoxy-3-nitrophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine is COc1ccc(C2CCCN2Cc2ccc(OC)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of 1-[(4-methoxy-3-nitrophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine?
The InChIKey is KDZBVNLQCZAXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-24-16-8-6-15(7-9-16)17-4-3-11-20(17)13-14-5-10-19(25-2)18(12-14)21(22)23/h5-10,12,17H,3-4,11,13H2,1-2H3.
What are the key properties of 1-[(4-methoxy-3-nitrophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine?
1-[(4-methoxy-3-nitrophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine has a molecular weight of 342.40 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-3-nitrophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 87013517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).