4,5-dimethoxy-2-N-(2-phenylcyclopropyl)benzene-1,2-diamine

C17H20N2O2 — CID 83004628

IUPAC4,5-dimethoxy-2-N-(2-phenylcyclopropyl)benzene-1,2-diamine
SMILESCOc1cc(N)c(NC2CC2c2ccccc2)cc1OC
InChIInChI=1S/C17H20N2O2/c1-20-16-9-13(18)15(10-17(16)21-2)19-14-8-12(14)11-6-4-3-5-7-11/h3-7,9-10,12,14,19H,8,18H2,1-2H3
InChIKeyXZAPGUXDELWDFN-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.25
Rot. Bonds5

About 4,5-dimethoxy-2-N-(2-phenylcyclopropyl)benzene-1,2-diamine

4,5-dimethoxy-2-N-(2-phenylcyclopropyl)benzene-1,2-diamine (PubChem CID 83004628) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4,5-dimethoxy-2-N-(2-phenylcyclopropyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4,5-dimethoxy-2-N-(2-phenylcyclopropyl)benzene-1,2-diamine
PubChem CID83004628
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4,5-dimethoxy-2-N-(2-phenylcyclopropyl)benzene-1,2-diamine
SMILESCOc1cc(N)c(NC2CC2c2ccccc2)cc1OC
InChIInChI=1S/C17H20N2O2/c1-20-16-9-13(18)15(10-17(16)21-2)19-14-8-12(14)11-6-4-3-5-7-11/h3-7,9-10,12,14,19H,8,18H2,1-2H3
InChIKeyXZAPGUXDELWDFN-UHFFFAOYSA-N
XLogP3.25
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.25
H-Bond Donors ≤ 52
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 4,5-dimethoxy-2-N-(2-phenylcyclopropyl)benzene-1,2-diamine?
The IUPAC name of 4,5-dimethoxy-2-N-(2-phenylcyclopropyl)benzene-1,2-diamine (CID 83004628) is 4,5-dimethoxy-2-N-(2-phenylcyclopropyl)benzene-1,2-diamine.
What is the SMILES notation for 4,5-dimethoxy-2-N-(2-phenylcyclopropyl)benzene-1,2-diamine?
The canonical SMILES for 4,5-dimethoxy-2-N-(2-phenylcyclopropyl)benzene-1,2-diamine is COc1cc(N)c(NC2CC2c2ccccc2)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-N-(2-phenylcyclopropyl)benzene-1,2-diamine?
The InChIKey is XZAPGUXDELWDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-20-16-9-13(18)15(10-17(16)21-2)19-14-8-12(14)11-6-4-3-5-7-11/h3-7,9-10,12,14,19H,8,18H2,1-2H3.
What are the key properties of 4,5-dimethoxy-2-N-(2-phenylcyclopropyl)benzene-1,2-diamine?
4,5-dimethoxy-2-N-(2-phenylcyclopropyl)benzene-1,2-diamine has a molecular weight of 284.36 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-N-(2-phenylcyclopropyl)benzene-1,2-diamine is sourced from PubChem (CID 83004628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).