5-(1-aminocyclopropyl)-2-methoxyaniline

C10H14N2O — CID 55297586

IUPAC5-(1-aminocyclopropyl)-2-methoxyaniline
SMILESCOc1ccc(C2(N)CC2)cc1N
InChIInChI=1S/C10H14N2O/c1-13-9-3-2-7(6-8(9)11)10(12)4-5-10/h2-3,6H,4-5,11-12H2,1H3
InChIKeyGLEUOVJCCHOSET-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.23
Rot. Bonds2

About 5-(1-aminocyclopropyl)-2-methoxyaniline

5-(1-aminocyclopropyl)-2-methoxyaniline (PubChem CID 55297586) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 5-(1-aminocyclopropyl)-2-methoxyaniline.

Molecular Properties

Compound Name5-(1-aminocyclopropyl)-2-methoxyaniline
PubChem CID55297586
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name5-(1-aminocyclopropyl)-2-methoxyaniline
SMILESCOc1ccc(C2(N)CC2)cc1N
InChIInChI=1S/C10H14N2O/c1-13-9-3-2-7(6-8(9)11)10(12)4-5-10/h2-3,6H,4-5,11-12H2,1H3
InChIKeyGLEUOVJCCHOSET-UHFFFAOYSA-N
XLogP1.23
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminocyclopropyl)-2-methoxyaniline?
The IUPAC name of 5-(1-aminocyclopropyl)-2-methoxyaniline (CID 55297586) is 5-(1-aminocyclopropyl)-2-methoxyaniline.
What is the SMILES notation for 5-(1-aminocyclopropyl)-2-methoxyaniline?
The canonical SMILES for 5-(1-aminocyclopropyl)-2-methoxyaniline is COc1ccc(C2(N)CC2)cc1N.
What is the InChIKey of 5-(1-aminocyclopropyl)-2-methoxyaniline?
The InChIKey is GLEUOVJCCHOSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-13-9-3-2-7(6-8(9)11)10(12)4-5-10/h2-3,6H,4-5,11-12H2,1H3.
What are the key properties of 5-(1-aminocyclopropyl)-2-methoxyaniline?
5-(1-aminocyclopropyl)-2-methoxyaniline has a molecular weight of 178.23 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminocyclopropyl)-2-methoxyaniline is sourced from PubChem (CID 55297586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).