(2R)-1-(2,5-dimethoxy-4-nitrophenyl)propan-2-amine

C11H16N2O4 — CID 54580952

IUPAC(2R)-1-(2,5-dimethoxy-4-nitrophenyl)propan-2-amine
SMILESCOc1cc([N+](=O)[O-])c(OC)cc1C[C@@H](C)N
InChIInChI=1S/C11H16N2O4/c1-7(12)4-8-5-11(17-3)9(13(14)15)6-10(8)16-2/h5-7H,4,12H2,1-3H3/t7-/m1/s1
InChIKeyJQJRESSXOVAECC-SSDOTTSWSA-N
MW240.26 g/mol
LogP1.50
Rot. Bonds5

About (2R)-1-(2,5-dimethoxy-4-nitrophenyl)propan-2-amine

(2R)-1-(2,5-dimethoxy-4-nitrophenyl)propan-2-amine (PubChem CID 54580952) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is (2R)-1-(2,5-dimethoxy-4-nitrophenyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(2,5-dimethoxy-4-nitrophenyl)propan-2-amine
PubChem CID54580952
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name(2R)-1-(2,5-dimethoxy-4-nitrophenyl)propan-2-amine
SMILESCOc1cc([N+](=O)[O-])c(OC)cc1C[C@@H](C)N
InChIInChI=1S/C11H16N2O4/c1-7(12)4-8-5-11(17-3)9(13(14)15)6-10(8)16-2/h5-7H,4,12H2,1-3H3/t7-/m1/s1
InChIKeyJQJRESSXOVAECC-SSDOTTSWSA-N
XLogP1.50
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.50
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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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,5-dimethoxy-4-nitrophenyl)propan-2-amine?
The IUPAC name of (2R)-1-(2,5-dimethoxy-4-nitrophenyl)propan-2-amine (CID 54580952) is (2R)-1-(2,5-dimethoxy-4-nitrophenyl)propan-2-amine.
What is the SMILES notation for (2R)-1-(2,5-dimethoxy-4-nitrophenyl)propan-2-amine?
The canonical SMILES for (2R)-1-(2,5-dimethoxy-4-nitrophenyl)propan-2-amine is COc1cc([N+](=O)[O-])c(OC)cc1C[C@@H](C)N.
What is the InChIKey of (2R)-1-(2,5-dimethoxy-4-nitrophenyl)propan-2-amine?
The InChIKey is JQJRESSXOVAECC-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7(12)4-8-5-11(17-3)9(13(14)15)6-10(8)16-2/h5-7H,4,12H2,1-3H3/t7-/m1/s1.
What are the key properties of (2R)-1-(2,5-dimethoxy-4-nitrophenyl)propan-2-amine?
(2R)-1-(2,5-dimethoxy-4-nitrophenyl)propan-2-amine has a molecular weight of 240.26 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,5-dimethoxy-4-nitrophenyl)propan-2-amine is sourced from PubChem (CID 54580952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).