2-methyl-N'-(2-phenoxyphenyl)propanimidamide

C16H18N2O — CID 63174146

IUPAC2-methyl-N'-(2-phenoxyphenyl)propanimidamide
SMILESCC(C)/C(N)=N\c1ccccc1Oc1ccccc1
InChIInChI=1S/C16H18N2O/c1-12(2)16(17)18-14-10-6-7-11-15(14)19-13-8-4-3-5-9-13/h3-12H,1-2H3,(H2,17,18)
InChIKeyJNYQHSPEYCEURE-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.12
Rot. Bonds4

About 2-methyl-N'-(2-phenoxyphenyl)propanimidamide

2-methyl-N'-(2-phenoxyphenyl)propanimidamide (PubChem CID 63174146) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-methyl-N'-(2-phenoxyphenyl)propanimidamide.

Molecular Properties

Compound Name2-methyl-N'-(2-phenoxyphenyl)propanimidamide
PubChem CID63174146
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-methyl-N'-(2-phenoxyphenyl)propanimidamide
SMILESCC(C)/C(N)=N\c1ccccc1Oc1ccccc1
InChIInChI=1S/C16H18N2O/c1-12(2)16(17)18-14-10-6-7-11-15(14)19-13-8-4-3-5-9-13/h3-12H,1-2H3,(H2,17,18)
InChIKeyJNYQHSPEYCEURE-UHFFFAOYSA-N
XLogP4.12
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.12
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'-(2-phenoxyphenyl)butanimidamide
CID 55159002
1-(diaminomethylidene)-2-[2-(4-methoxyphenoxy)phenyl]guanidine
CID 168602521
1-(2-methoxy-6-phenoxyphenyl)ethanol
CID 113389264
1-phenoxy-2-[1-(2-phenoxyphenyl)ethyl]benzene
CID 139761762
N'-(2-chloro-3-methylphenyl)-2-methylpropanimidamide
CID 130496080
[(2S)-1-amino-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 2498474
[1-amino-2-(2-phenoxyphenyl)ethylidene]azanium
CID 6347179
N'-hydroxy-2-phenoxybenzenecarboximidamide
CID 51603436
1-tert-butyl-2-[(2-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 111086920
(2R)-2-[(2-phenoxyphenyl)methylsulfonyl]propanamide
CID 94087991
methyl N'-(5-methyl-2-phenoxyphenyl)carbamimidothioate;hydroiodide
CID 70527822
2-phenoxy-N'-propan-2-ylethanimidamide
CID 63181817

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(2-phenoxyphenyl)propanimidamide?
The IUPAC name of 2-methyl-N'-(2-phenoxyphenyl)propanimidamide (CID 63174146) is 2-methyl-N'-(2-phenoxyphenyl)propanimidamide.
What is the SMILES notation for 2-methyl-N'-(2-phenoxyphenyl)propanimidamide?
The canonical SMILES for 2-methyl-N'-(2-phenoxyphenyl)propanimidamide is CC(C)/C(N)=N\c1ccccc1Oc1ccccc1.
What is the InChIKey of 2-methyl-N'-(2-phenoxyphenyl)propanimidamide?
The InChIKey is JNYQHSPEYCEURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12(2)16(17)18-14-10-6-7-11-15(14)19-13-8-4-3-5-9-13/h3-12H,1-2H3,(H2,17,18).
What are the key properties of 2-methyl-N'-(2-phenoxyphenyl)propanimidamide?
2-methyl-N'-(2-phenoxyphenyl)propanimidamide has a molecular weight of 254.33 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(2-phenoxyphenyl)propanimidamide is sourced from PubChem (CID 63174146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).