4-(anilinomethyl)-N'-hydroxy-3-methylbenzenecarboximidamide

C15H17N3O — CID 114482639

IUPAC4-(anilinomethyl)-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cc(/C(N)=N/O)ccc1CNc1ccccc1
InChIInChI=1S/C15H17N3O/c1-11-9-12(15(16)18-19)7-8-13(11)10-17-14-5-3-2-4-6-14/h2-9,17,19H,10H2,1H3,(H2,16,18)
InChIKeyWFRPWLVAWDJEBP-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.70
Rot. Bonds4

About 4-(anilinomethyl)-N'-hydroxy-3-methylbenzenecarboximidamide

4-(anilinomethyl)-N'-hydroxy-3-methylbenzenecarboximidamide (PubChem CID 114482639) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-(anilinomethyl)-N'-hydroxy-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-(anilinomethyl)-N'-hydroxy-3-methylbenzenecarboximidamide
PubChem CID114482639
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-(anilinomethyl)-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cc(/C(N)=N/O)ccc1CNc1ccccc1
InChIInChI=1S/C15H17N3O/c1-11-9-12(15(16)18-19)7-8-13(11)10-17-14-5-3-2-4-6-14/h2-9,17,19H,10H2,1H3,(H2,16,18)
InChIKeyWFRPWLVAWDJEBP-UHFFFAOYSA-N
XLogP2.70
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.70
H-Bond Donors ≤ 53
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

4-(anilinomethyl)-3-methylbenzamide
CID 114479545
4-[(3,4-dichloroanilino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482665
N'-hydroxy-4-[(2-iodoanilino)methyl]-3-methylbenzenecarboximidamide
CID 114482726
N'-hydroxy-3-methyl-4-[[[(1S)-1-phenylethyl]amino]methyl]benzenecarboximidamide
CID 104930166
N'-hydroxy-3-methyl-4-[[(1-methylpyrazol-4-yl)amino]methyl]benzenecarboximidamide
CID 114482991
4-(anilinomethyl)-N'-hydroxybenzenecarboximidamide
CID 77025269
N'-hydroxy-3-methyl-4-[[(1-methylpyrazol-3-yl)amino]methyl]benzenecarboximidamide
CID 114482992
N'-hydroxy-4-[(1-hydroxypropan-2-ylamino)methyl]-3-methylbenzenecarboximidamide
CID 114482743
4-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482972
4-[(cyclopentylamino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482642
3-methyl-4-[(3-methylanilino)methyl]benzamide
CID 114479536
N'-hydroxy-4-[(6-hydroxyhexylamino)methyl]-3-methylbenzenecarboximidamide
CID 107853266

Frequently Asked Questions

What is the IUPAC name of 4-(anilinomethyl)-N'-hydroxy-3-methylbenzenecarboximidamide?
The IUPAC name of 4-(anilinomethyl)-N'-hydroxy-3-methylbenzenecarboximidamide (CID 114482639) is 4-(anilinomethyl)-N'-hydroxy-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-(anilinomethyl)-N'-hydroxy-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-(anilinomethyl)-N'-hydroxy-3-methylbenzenecarboximidamide is Cc1cc(/C(N)=N/O)ccc1CNc1ccccc1.
What is the InChIKey of 4-(anilinomethyl)-N'-hydroxy-3-methylbenzenecarboximidamide?
The InChIKey is WFRPWLVAWDJEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-9-12(15(16)18-19)7-8-13(11)10-17-14-5-3-2-4-6-14/h2-9,17,19H,10H2,1H3,(H2,16,18).
What are the key properties of 4-(anilinomethyl)-N'-hydroxy-3-methylbenzenecarboximidamide?
4-(anilinomethyl)-N'-hydroxy-3-methylbenzenecarboximidamide has a molecular weight of 255.32 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(anilinomethyl)-N'-hydroxy-3-methylbenzenecarboximidamide is sourced from PubChem (CID 114482639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).