2-cyclopropyl-1-(4-phenoxyphenyl)guanidine

C16H17N3O — CID 62380155

IUPAC2-cyclopropyl-1-(4-phenoxyphenyl)guanidine
SMILESN/C(=N\C1CC1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H17N3O/c17-16(18-12-6-7-12)19-13-8-10-15(11-9-13)20-14-4-2-1-3-5-14/h1-5,8-12H,6-7H2,(H3,17,18,19)
InChIKeyRCCVZOHJDXUZMT-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.37
Rot. Bonds4

About 2-cyclopropyl-1-(4-phenoxyphenyl)guanidine

2-cyclopropyl-1-(4-phenoxyphenyl)guanidine (PubChem CID 62380155) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-cyclopropyl-1-(4-phenoxyphenyl)guanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-(4-phenoxyphenyl)guanidine
PubChem CID62380155
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-cyclopropyl-1-(4-phenoxyphenyl)guanidine
SMILESN/C(=N\C1CC1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H17N3O/c17-16(18-12-6-7-12)19-13-8-10-15(11-9-13)20-14-4-2-1-3-5-14/h1-5,8-12H,6-7H2,(H3,17,18,19)
InChIKeyRCCVZOHJDXUZMT-UHFFFAOYSA-N
XLogP3.37
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(4-phenoxyphenyl)guanidine?
The IUPAC name of 2-cyclopropyl-1-(4-phenoxyphenyl)guanidine (CID 62380155) is 2-cyclopropyl-1-(4-phenoxyphenyl)guanidine.
What is the SMILES notation for 2-cyclopropyl-1-(4-phenoxyphenyl)guanidine?
The canonical SMILES for 2-cyclopropyl-1-(4-phenoxyphenyl)guanidine is N/C(=N\C1CC1)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-cyclopropyl-1-(4-phenoxyphenyl)guanidine?
The InChIKey is RCCVZOHJDXUZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c17-16(18-12-6-7-12)19-13-8-10-15(11-9-13)20-14-4-2-1-3-5-14/h1-5,8-12H,6-7H2,(H3,17,18,19).
What are the key properties of 2-cyclopropyl-1-(4-phenoxyphenyl)guanidine?
2-cyclopropyl-1-(4-phenoxyphenyl)guanidine has a molecular weight of 267.33 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(4-phenoxyphenyl)guanidine is sourced from PubChem (CID 62380155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).