2-[4-(methoxymethyl)phenyl]benzenecarboximidamide

C15H16N2O — CID 6345491

IUPAC2-[4-(methoxymethyl)phenyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1-c1ccc(COC)cc1
InChIInChI=1S/C15H16N2O/c1-18-10-11-6-8-12(9-7-11)13-4-2-3-5-14(13)15(16)17/h2-9H,10H2,1H3,(H3,16,17)
InChIKeyGBXWPSIKQKHZLJ-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.78
Rot. Bonds4

About 2-[4-(methoxymethyl)phenyl]benzenecarboximidamide

2-[4-(methoxymethyl)phenyl]benzenecarboximidamide (PubChem CID 6345491) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)phenyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-[4-(methoxymethyl)phenyl]benzenecarboximidamide
PubChem CID6345491
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-[4-(methoxymethyl)phenyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1-c1ccc(COC)cc1
InChIInChI=1S/C15H16N2O/c1-18-10-11-6-8-12(9-7-11)13-4-2-3-5-14(13)15(16)17/h2-9H,10H2,1H3,(H3,16,17)
InChIKeyGBXWPSIKQKHZLJ-UHFFFAOYSA-N
XLogP2.78
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.78
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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Related Compounds

2-[4-(diethylaminomethyl)phenyl]benzenecarboximidamide
CID 24704653
2-(4-formylphenyl)benzenecarboximidamide
CID 89125419
2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenecarboximidamide
CID 24698268
2-[4-(2-methoxyethoxymethyl)phenyl]benzenecarbothioamide
CID 29270644
2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253513
3-(4-methoxyphenyl)-2-sulfanylbenzenecarboximidamide
CID 174903596
2-(4-carbamimidoylphenyl)benzamide
CID 90947918
1-(methoxymethyl)-4-phenylbenzene
CID 14906855
4-(2-methoxyphenyl)benzenecarboximidamide
CID 82287821
2-(3-bromophenyl)benzenecarboximidamide
CID 6344753
methyl 2-[2-[(4-carbamimidoylphenyl)methoxy]phenyl]benzoate
CID 22626508
N-[(2S,3S)-2-amino-3-methylpentyl]-2-[4-(methoxymethyl)phenyl]benzamide
CID 173464064

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)phenyl]benzenecarboximidamide?
The IUPAC name of 2-[4-(methoxymethyl)phenyl]benzenecarboximidamide (CID 6345491) is 2-[4-(methoxymethyl)phenyl]benzenecarboximidamide.
What is the SMILES notation for 2-[4-(methoxymethyl)phenyl]benzenecarboximidamide?
The canonical SMILES for 2-[4-(methoxymethyl)phenyl]benzenecarboximidamide is [H]/N=C(\N)c1ccccc1-c1ccc(COC)cc1.
What is the InChIKey of 2-[4-(methoxymethyl)phenyl]benzenecarboximidamide?
The InChIKey is GBXWPSIKQKHZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-18-10-11-6-8-12(9-7-11)13-4-2-3-5-14(13)15(16)17/h2-9H,10H2,1H3,(H3,16,17).
What are the key properties of 2-[4-(methoxymethyl)phenyl]benzenecarboximidamide?
2-[4-(methoxymethyl)phenyl]benzenecarboximidamide has a molecular weight of 240.31 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)phenyl]benzenecarboximidamide is sourced from PubChem (CID 6345491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).