4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylbenzenecarboximidamide

C17H19FN2O — CID 114346108

IUPAC4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)c(OCc2ccc(F)cc2C)c(C)c1
InChIInChI=1S/C17H19FN2O/c1-10-8-15(18)5-4-13(10)9-21-16-11(2)6-14(17(19)20)7-12(16)3/h4-8H,9H2,1-3H3,(H3,19,20)
InChIKeyNQUUEAQXOZKDFI-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.61
Rot. Bonds4

About 4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylbenzenecarboximidamide

4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylbenzenecarboximidamide (PubChem CID 114346108) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylbenzenecarboximidamide
PubChem CID114346108
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)c(OCc2ccc(F)cc2C)c(C)c1
InChIInChI=1S/C17H19FN2O/c1-10-8-15(18)5-4-13(10)9-21-16-11(2)6-14(17(19)20)7-12(16)3/h4-8H,9H2,1-3H3,(H3,19,20)
InChIKeyNQUUEAQXOZKDFI-UHFFFAOYSA-N
XLogP3.61
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.61
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

4-[(2-bromo-5-fluorophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483819
2-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]benzenecarboximidamide
CID 102724621
4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylbenzenecarboximidamide
CID 65472321
4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzenecarboximidamide
CID 65476998
2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine
CID 114348464
4-[(2-bromophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483695
4-[(4-bromophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483676
4-[(4-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483678
4-[(2,5-dimethylphenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483679
4-[(2,4-difluorophenyl)methoxy]benzenecarboximidamide
CID 55045519
2-[(3,4-dimethylphenoxy)methyl]-5-fluorobenzenecarboximidamide
CID 63290640
4-[(4-chloro-2-methylphenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483691

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylbenzenecarboximidamide?
The IUPAC name of 4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylbenzenecarboximidamide (CID 114346108) is 4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylbenzenecarboximidamide.
What is the SMILES notation for 4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylbenzenecarboximidamide?
The canonical SMILES for 4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylbenzenecarboximidamide is [H]/N=C(\N)c1cc(C)c(OCc2ccc(F)cc2C)c(C)c1.
What is the InChIKey of 4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylbenzenecarboximidamide?
The InChIKey is NQUUEAQXOZKDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-10-8-15(18)5-4-13(10)9-21-16-11(2)6-14(17(19)20)7-12(16)3/h4-8H,9H2,1-3H3,(H3,19,20).
What are the key properties of 4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylbenzenecarboximidamide?
4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylbenzenecarboximidamide has a molecular weight of 286.35 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylbenzenecarboximidamide is sourced from PubChem (CID 114346108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).