N'-(4-phenoxyphenyl)cyclopropanecarboximidamide

C16H16N2O — CID 63174147

IUPACN'-(4-phenoxyphenyl)cyclopropanecarboximidamide
SMILESN/C(=N\c1ccc(Oc2ccccc2)cc1)C1CC1
InChIInChI=1S/C16H16N2O/c17-16(12-6-7-12)18-13-8-10-15(11-9-13)19-14-4-2-1-3-5-14/h1-5,8-12H,6-7H2,(H2,17,18)
InChIKeyMXBWXYYEXBMVRA-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.88
Rot. Bonds4

About N'-(4-phenoxyphenyl)cyclopropanecarboximidamide

N'-(4-phenoxyphenyl)cyclopropanecarboximidamide (PubChem CID 63174147) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is N'-(4-phenoxyphenyl)cyclopropanecarboximidamide.

Molecular Properties

Compound NameN'-(4-phenoxyphenyl)cyclopropanecarboximidamide
PubChem CID63174147
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC NameN'-(4-phenoxyphenyl)cyclopropanecarboximidamide
SMILESN/C(=N\c1ccc(Oc2ccccc2)cc1)C1CC1
InChIInChI=1S/C16H16N2O/c17-16(12-6-7-12)18-13-8-10-15(11-9-13)19-14-4-2-1-3-5-14/h1-5,8-12H,6-7H2,(H2,17,18)
InChIKeyMXBWXYYEXBMVRA-UHFFFAOYSA-N
XLogP3.88
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.88
H-Bond Donors ≤ 51
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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Related Compounds

N'-[4-[3-[4-[[amino(cyclohexyl)methylidene]amino]phenoxy]phenoxy]phenyl]cyclohexanecarboximidamide
CID 56933746
N'-(4-phenylphenyl)cyclopropanecarboximidamide
CID 55160926
N'-naphthalen-2-ylcyclopropanecarboximidamide
CID 63176582
N'-(4-tert-butylphenyl)cyclopropanecarboximidamide
CID 63173984
N'-(4-propan-2-yloxyphenyl)cyclopentanecarboximidamide
CID 63178568
2-N'-(4-phenoxyphenyl)-2,3-dihydroindole-1,2-dicarboximidamide
CID 140673421
N'-naphthalen-2-ylcyclohexanecarboximidamide
CID 55158430
N'-[4-(diethylamino)phenyl]cyclopropanecarboximidamide
CID 63181038
2-cyclopropyl-1-(4-phenoxyphenyl)guanidine
CID 62380155
ethyl N-[4-[4-[[ethoxy(phenyl)methylidene]amino]phenoxy]phenyl]benzenecarboximidate
CID 122577792
N'-[N'-(4-phenoxyphenyl)carbamimidoyl]-2,3-dihydroindole-1-carboximidamide
CID 118045237
N'-[N'-(4-phenoxyphenyl)carbamimidoyl]-2,3-dihydroindole-1-carboximidamide
CID 123661378

Frequently Asked Questions

What is the IUPAC name of N'-(4-phenoxyphenyl)cyclopropanecarboximidamide?
The IUPAC name of N'-(4-phenoxyphenyl)cyclopropanecarboximidamide (CID 63174147) is N'-(4-phenoxyphenyl)cyclopropanecarboximidamide.
What is the SMILES notation for N'-(4-phenoxyphenyl)cyclopropanecarboximidamide?
The canonical SMILES for N'-(4-phenoxyphenyl)cyclopropanecarboximidamide is N/C(=N\c1ccc(Oc2ccccc2)cc1)C1CC1.
What is the InChIKey of N'-(4-phenoxyphenyl)cyclopropanecarboximidamide?
The InChIKey is MXBWXYYEXBMVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c17-16(12-6-7-12)18-13-8-10-15(11-9-13)19-14-4-2-1-3-5-14/h1-5,8-12H,6-7H2,(H2,17,18).
What are the key properties of N'-(4-phenoxyphenyl)cyclopropanecarboximidamide?
N'-(4-phenoxyphenyl)cyclopropanecarboximidamide has a molecular weight of 252.32 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-phenoxyphenyl)cyclopropanecarboximidamide is sourced from PubChem (CID 63174147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).