4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzenecarboximidamide

C16H17IN2O — CID 65476998

IUPAC4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)c(OCc2ccc(I)cc2)c(C)c1
InChIInChI=1S/C16H17IN2O/c1-10-7-13(16(18)19)8-11(2)15(10)20-9-12-3-5-14(17)6-4-12/h3-8H,9H2,1-2H3,(H3,18,19)
InChIKeyRQOKBTOPDDTJBL-UHFFFAOYSA-N
MW380.23 g/mol
LogP3.77
Rot. Bonds4

About 4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzenecarboximidamide

4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzenecarboximidamide (PubChem CID 65476998) has the molecular formula C16H17IN2O and a molecular weight of 380.23 g/mol. Its IUPAC name is 4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzenecarboximidamide
PubChem CID65476998
Molecular FormulaC16H17IN2O
Molecular Weight380.23 g/mol
Exact Mass380.04
IUPAC Name4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)c(OCc2ccc(I)cc2)c(C)c1
InChIInChI=1S/C16H17IN2O/c1-10-7-13(16(18)19)8-11(2)15(10)20-9-12-3-5-14(17)6-4-12/h3-8H,9H2,1-2H3,(H3,18,19)
InChIKeyRQOKBTOPDDTJBL-UHFFFAOYSA-N
XLogP3.77
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 53.77
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-[(4-iodophenyl)methoxy]-5-methoxybenzenecarboximidamide
CID 103567720
4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzoic acid
CID 65478013
3-[(2,4,6-trimethylphenoxy)methyl]benzenecarboximidamide
CID 61218400
4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylbenzenecarboximidamide
CID 65472321
4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylbenzenecarboximidamide
CID 114346108
2-[4-[(4-iodophenyl)methoxy]-3,5-dimethylphenyl]ethanamine
CID 65477113
2-[(4-iodophenyl)methoxy]-1,3-dimethylbenzene
CID 65489726
3,5-dimethyl-4-[(1-methyltriazol-4-yl)methoxy]benzenecarboximidamide
CID 107043385
4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzonitrile
CID 65477803
4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide
CID 156508325
3,5-dimethyl-4-(2-methylsulfonylethoxy)benzenecarboximidamide
CID 65471366
3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide
CID 65471181

Frequently Asked Questions

What is the IUPAC name of 4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzenecarboximidamide?
The IUPAC name of 4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzenecarboximidamide (CID 65476998) is 4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzenecarboximidamide.
What is the SMILES notation for 4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzenecarboximidamide?
The canonical SMILES for 4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzenecarboximidamide is [H]/N=C(\N)c1cc(C)c(OCc2ccc(I)cc2)c(C)c1.
What is the InChIKey of 4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzenecarboximidamide?
The InChIKey is RQOKBTOPDDTJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O/c1-10-7-13(16(18)19)8-11(2)15(10)20-9-12-3-5-14(17)6-4-12/h3-8H,9H2,1-2H3,(H3,18,19).
What are the key properties of 4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzenecarboximidamide?
4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzenecarboximidamide has a molecular weight of 380.23 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzenecarboximidamide is sourced from PubChem (CID 65476998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).