5-fluoro-2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide

C15H22FN3O — CID 63711867

IUPAC5-fluoro-2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1CN(C)CC1CCCOC1
InChIInChI=1S/C15H22FN3O/c1-19(8-11-3-2-6-20-10-11)9-12-4-5-13(16)7-14(12)15(17)18/h4-5,7,11H,2-3,6,8-10H2,1H3,(H3,17,18)
InChIKeyGXTYWPKFHNTEFS-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.97
Rot. Bonds5

About 5-fluoro-2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide

5-fluoro-2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide (PubChem CID 63711867) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 5-fluoro-2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide
PubChem CID63711867
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name5-fluoro-2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1CN(C)CC1CCCOC1
InChIInChI=1S/C15H22FN3O/c1-19(8-11-3-2-6-20-10-11)9-12-4-5-13(16)7-14(12)15(17)18/h4-5,7,11H,2-3,6,8-10H2,1H3,(H3,17,18)
InChIKeyGXTYWPKFHNTEFS-UHFFFAOYSA-N
XLogP1.97
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide
CID 63711689
2-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide
CID 106790873
4-[[methyl(oxan-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide
CID 63882050
3-fluoro-4-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarbothioamide
CID 63713588
2-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide
CID 55249247
2-[[1-cyclopropylethyl(methyl)amino]methyl]-5-fluorobenzenecarboximidamide
CID 63290799
2-[[(4-bromophenyl)methyl-methylamino]methyl]-5-fluorobenzenecarboximidamide
CID 63290672
5-fluoro-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]benzenecarboximidamide
CID 63290670
2-[cyclohexylmethyl(methyl)amino]-5-fluorobenzenecarboximidamide
CID 63669000
2-[[2-ethoxyethyl(methyl)amino]methyl]-5-fluorobenzenecarboximidamide
CID 81056626
5-fluoro-2-[[methyl(2-phenylethyl)amino]methyl]benzenecarboximidamide
CID 65488750
5-fluoro-2-(methylsulfanylmethyl)benzenecarboximidamide
CID 63291251

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of 5-fluoro-2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide (CID 63711867) is 5-fluoro-2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for 5-fluoro-2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1CN(C)CC1CCCOC1.
What is the InChIKey of 5-fluoro-2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide?
The InChIKey is GXTYWPKFHNTEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-19(8-11-3-2-6-20-10-11)9-12-4-5-13(16)7-14(12)15(17)18/h4-5,7,11H,2-3,6,8-10H2,1H3,(H3,17,18).
What are the key properties of 5-fluoro-2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide?
5-fluoro-2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide has a molecular weight of 279.36 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 63711867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).