2-N-cyclopropyl-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine

C13H20N2O2 — CID 83001040

IUPAC2-N-cyclopropyl-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine
SMILESCCN(c1cc(OC)c(OC)cc1N)C1CC1
InChIInChI=1S/C13H20N2O2/c1-4-15(9-5-6-9)11-8-13(17-3)12(16-2)7-10(11)14/h7-9H,4-6,14H2,1-3H3
InChIKeyDFPQPDFTRZFYJE-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.27
Rot. Bonds5

About 2-N-cyclopropyl-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine

2-N-cyclopropyl-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine (PubChem CID 83001040) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-N-cyclopropyl-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine
PubChem CID83001040
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-N-cyclopropyl-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine
SMILESCCN(c1cc(OC)c(OC)cc1N)C1CC1
InChIInChI=1S/C13H20N2O2/c1-4-15(9-5-6-9)11-8-13(17-3)12(16-2)7-10(11)14/h7-9H,4-6,14H2,1-3H3
InChIKeyDFPQPDFTRZFYJE-UHFFFAOYSA-N
XLogP2.27
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine (CID 83001040) is 2-N-cyclopropyl-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine is CCN(c1cc(OC)c(OC)cc1N)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine?
The InChIKey is DFPQPDFTRZFYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-15(9-5-6-9)11-8-13(17-3)12(16-2)7-10(11)14/h7-9H,4-6,14H2,1-3H3.
What are the key properties of 2-N-cyclopropyl-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine?
2-N-cyclopropyl-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine has a molecular weight of 236.31 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine is sourced from PubChem (CID 83001040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).