N-[(2,5-dimethoxyphenyl)methyl]-N-[(4-nitrophenyl)methyl]cyclopropanamine

C19H22N2O4 — CID 43065807

IUPACN-[(2,5-dimethoxyphenyl)methyl]-N-[(4-nitrophenyl)methyl]cyclopropanamine
SMILESCOc1ccc(OC)c(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1
InChIInChI=1S/C19H22N2O4/c1-24-18-9-10-19(25-2)15(11-18)13-20(16-7-8-16)12-14-3-5-17(6-4-14)21(22)23/h3-6,9-11,16H,7-8,12-13H2,1-2H3
InChIKeyZQZPOVURUCECHP-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.78
Rot. Bonds8

About N-[(2,5-dimethoxyphenyl)methyl]-N-[(4-nitrophenyl)methyl]cyclopropanamine

N-[(2,5-dimethoxyphenyl)methyl]-N-[(4-nitrophenyl)methyl]cyclopropanamine (PubChem CID 43065807) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-N-[(4-nitrophenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-N-[(4-nitrophenyl)methyl]cyclopropanamine
PubChem CID43065807
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-N-[(4-nitrophenyl)methyl]cyclopropanamine
SMILESCOc1ccc(OC)c(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1
InChIInChI=1S/C19H22N2O4/c1-24-18-9-10-19(25-2)15(11-18)13-20(16-7-8-16)12-14-3-5-17(6-4-14)21(22)23/h3-6,9-11,16H,7-8,12-13H2,1-2H3
InChIKeyZQZPOVURUCECHP-UHFFFAOYSA-N
XLogP3.78
TPSA64.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.78
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

N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-nitrobenzamide
CID 33078016
2-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-5-nitroisoindole-1,3-dione
CID 9281547
4-[(4-methoxy-3-nitrophenyl)methyl-[(3-methoxyphenyl)methyl]amino]cyclohexan-1-ol
CID 86885959
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-nitrobenzamide
CID 9298236
N-[(4-methoxyphenyl)methyl]-N-[(5-nitroindazol-1-yl)methyl]cyclopropanamine
CID 31385919
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-[(3-nitrophenyl)methyl]cyclopropanamine
CID 112842490
4-N-[(4-tert-butylphenyl)methyl]-4-N-[(4,5-dimethoxy-2-nitrophenyl)methyl]cyclohexane-1,4-diamine
CID 23851495
2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-propan-2-ylacetamide
CID 34979795
2-[cyclobutyl-[(4-nitrophenyl)methyl]amino]ethanol
CID 102676847
4-methoxy-1-methyl-2-[(4-nitrophenyl)methyl]benzene
CID 173081709
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 8770143
N-[(2,5-dimethoxyphenyl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 134007205

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-N-[(4-nitrophenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-N-[(4-nitrophenyl)methyl]cyclopropanamine (CID 43065807) is N-[(2,5-dimethoxyphenyl)methyl]-N-[(4-nitrophenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-N-[(4-nitrophenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-N-[(4-nitrophenyl)methyl]cyclopropanamine is COc1ccc(OC)c(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-N-[(4-nitrophenyl)methyl]cyclopropanamine?
The InChIKey is ZQZPOVURUCECHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-24-18-9-10-19(25-2)15(11-18)13-20(16-7-8-16)12-14-3-5-17(6-4-14)21(22)23/h3-6,9-11,16H,7-8,12-13H2,1-2H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-N-[(4-nitrophenyl)methyl]cyclopropanamine?
N-[(2,5-dimethoxyphenyl)methyl]-N-[(4-nitrophenyl)methyl]cyclopropanamine has a molecular weight of 342.40 g/mol, XLogP of 3.78, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-N-[(4-nitrophenyl)methyl]cyclopropanamine is sourced from PubChem (CID 43065807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).