N'-hydroxy-2-methyl-4-phenylmethoxybenzenecarboximidamide

C15H16N2O2 — CID 81278044

IUPACN'-hydroxy-2-methyl-4-phenylmethoxybenzenecarboximidamide
SMILESCc1cc(OCc2ccccc2)ccc1/C(N)=N/O
InChIInChI=1S/C15H16N2O2/c1-11-9-13(7-8-14(11)15(16)17-18)19-10-12-5-3-2-4-6-12/h2-9,18H,10H2,1H3,(H2,16,17)
InChIKeyARTRJPNNASSUOX-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.67
Rot. Bonds4

About N'-hydroxy-2-methyl-4-phenylmethoxybenzenecarboximidamide

N'-hydroxy-2-methyl-4-phenylmethoxybenzenecarboximidamide (PubChem CID 81278044) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-4-phenylmethoxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-4-phenylmethoxybenzenecarboximidamide
PubChem CID81278044
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN'-hydroxy-2-methyl-4-phenylmethoxybenzenecarboximidamide
SMILESCc1cc(OCc2ccccc2)ccc1/C(N)=N/O
InChIInChI=1S/C15H16N2O2/c1-11-9-13(7-8-14(11)15(16)17-18)19-10-12-5-3-2-4-6-12/h2-9,18H,10H2,1H3,(H2,16,17)
InChIKeyARTRJPNNASSUOX-UHFFFAOYSA-N
XLogP2.67
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
N'-hydroxy-4-(3-methoxypropoxy)-2-methylbenzenecarboximidamide
CID 81277376
4-[(4-bromo-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 83141030
4-(4-ethylphenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81277675
4-(3,4-dimethylphenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81277438
2-chloro-N'-hydroxy-4-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 76981512
3-methyl-1-(2-methyl-4-phenylmethoxyphenyl)butan-1-one
CID 146005137
methyl 2-methyl-4-phenylmethoxybenzoate;2-methyl-4-phenylmethoxybenzoic acid
CID 159295589
cyclopropyl-(2-methyl-4-phenylmethoxyphenyl)methanone
CID 82553608
3-[(4-chloro-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 43185939
2-bromo-N'-hydroxy-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 107278882
1-amino-2-(2-methyl-4-phenylmethoxyphenyl)guanidine
CID 164647337

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-4-phenylmethoxybenzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-methyl-4-phenylmethoxybenzenecarboximidamide (CID 81278044) is N'-hydroxy-2-methyl-4-phenylmethoxybenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-4-phenylmethoxybenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-methyl-4-phenylmethoxybenzenecarboximidamide is Cc1cc(OCc2ccccc2)ccc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-methyl-4-phenylmethoxybenzenecarboximidamide?
The InChIKey is ARTRJPNNASSUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-9-13(7-8-14(11)15(16)17-18)19-10-12-5-3-2-4-6-12/h2-9,18H,10H2,1H3,(H2,16,17).
What are the key properties of N'-hydroxy-2-methyl-4-phenylmethoxybenzenecarboximidamide?
N'-hydroxy-2-methyl-4-phenylmethoxybenzenecarboximidamide has a molecular weight of 256.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-4-phenylmethoxybenzenecarboximidamide is sourced from PubChem (CID 81278044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).