4-[(2-fluorophenyl)methoxymethyl]-3-methylbenzenecarboximidamide

C16H17FN2O — CID 114483797

IUPAC4-[(2-fluorophenyl)methoxymethyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COCc2ccccc2F)c(C)c1
InChIInChI=1S/C16H17FN2O/c1-11-8-12(16(18)19)6-7-13(11)9-20-10-14-4-2-3-5-15(14)17/h2-8H,9-10H2,1H3,(H3,18,19)
InChIKeyICNUNGVSGPMJSS-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.13
Rot. Bonds5

About 4-[(2-fluorophenyl)methoxymethyl]-3-methylbenzenecarboximidamide

4-[(2-fluorophenyl)methoxymethyl]-3-methylbenzenecarboximidamide (PubChem CID 114483797) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methoxymethyl]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methoxymethyl]-3-methylbenzenecarboximidamide
PubChem CID114483797
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name4-[(2-fluorophenyl)methoxymethyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COCc2ccccc2F)c(C)c1
InChIInChI=1S/C16H17FN2O/c1-11-8-12(16(18)19)6-7-13(11)9-20-10-14-4-2-3-5-15(14)17/h2-8H,9-10H2,1H3,(H3,18,19)
InChIKeyICNUNGVSGPMJSS-UHFFFAOYSA-N
XLogP3.13
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.13
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

6-(3-Phenyloxiran-2-yl)naphthalene-2-carboximidamide
CID 21706803
4-((Benzyloxy)methyl)benzene-1-carboximidamide hydrochloride
CID 47002447
[2-(6-Carbamimidoylnaphthalen-2-yl)phenyl]methyl 2,2,2-trifluoroacetate
CID 70058588
3-[2-[(4-Carbamimidoylphenyl)methoxymethyl]phenyl]benzenecarboximidamide;bis(2,2,2-trifluoroacetic acid)
CID 87951182
3-fluoro-4-(3-hydroxybut-3-enyl)-N'-[1-[3-(methoxymethyl)-4-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]ethenoxy]benzenecarboximidamide
CID 89191600
1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboximidamide
CID 117844302
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-N,N-dimethyl-3H-2-benzofuran-5-carboximidamide
CID 117844332
N-ethyl-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-car-boximidamide
CID 117844430
8-fluoro-1H-benzo[h][2,3]benzoxazin-4-amine
CID 122534926
7-(4-fluorophenyl)-1H-2,3-benzoxazin-4-amine
CID 122534933
(2-fluorophenyl)methyl (Z)-3-amino-3-(2-methylphenyl)prop-2-enimidate
CID 143470304
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-N'-iodo-3H-2-benzofuran-5-carboximidamide
CID 145387974

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methoxymethyl]-3-methylbenzenecarboximidamide?
The IUPAC name of 4-[(2-fluorophenyl)methoxymethyl]-3-methylbenzenecarboximidamide (CID 114483797) is 4-[(2-fluorophenyl)methoxymethyl]-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[(2-fluorophenyl)methoxymethyl]-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-[(2-fluorophenyl)methoxymethyl]-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(COCc2ccccc2F)c(C)c1.
What is the InChIKey of 4-[(2-fluorophenyl)methoxymethyl]-3-methylbenzenecarboximidamide?
The InChIKey is ICNUNGVSGPMJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11-8-12(16(18)19)6-7-13(11)9-20-10-14-4-2-3-5-15(14)17/h2-8H,9-10H2,1H3,(H3,18,19).
What are the key properties of 4-[(2-fluorophenyl)methoxymethyl]-3-methylbenzenecarboximidamide?
4-[(2-fluorophenyl)methoxymethyl]-3-methylbenzenecarboximidamide has a molecular weight of 272.32 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methoxymethyl]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 114483797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).