1-(2,5-difluorophenyl)-2-[(3-methoxyoxan-4-yl)methyl]guanidine

C14H19F2N3O2 — CID 122097384

IUPAC1-(2,5-difluorophenyl)-2-[(3-methoxyoxan-4-yl)methyl]guanidine
SMILESCOC1COCCC1C/N=C(\N)Nc1cc(F)ccc1F
InChIInChI=1S/C14H19F2N3O2/c1-20-13-8-21-5-4-9(13)7-18-14(17)19-12-6-10(15)2-3-11(12)16/h2-3,6,9,13H,4-5,7-8H2,1H3,(H3,17,18,19)
InChIKeyVHOKKUXGDWWNNT-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.74
Rot. Bonds4

About 1-(2,5-difluorophenyl)-2-[(3-methoxyoxan-4-yl)methyl]guanidine

1-(2,5-difluorophenyl)-2-[(3-methoxyoxan-4-yl)methyl]guanidine (PubChem CID 122097384) has the molecular formula C14H19F2N3O2 and a molecular weight of 299.32 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-[(3-methoxyoxan-4-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-[(3-methoxyoxan-4-yl)methyl]guanidine
PubChem CID122097384
Molecular FormulaC14H19F2N3O2
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC Name1-(2,5-difluorophenyl)-2-[(3-methoxyoxan-4-yl)methyl]guanidine
SMILESCOC1COCCC1C/N=C(\N)Nc1cc(F)ccc1F
InChIInChI=1S/C14H19F2N3O2/c1-20-13-8-21-5-4-9(13)7-18-14(17)19-12-6-10(15)2-3-11(12)16/h2-3,6,9,13H,4-5,7-8H2,1H3,(H3,17,18,19)
InChIKeyVHOKKUXGDWWNNT-UHFFFAOYSA-N
XLogP1.74
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.74
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'}

Analyze 1-(2,5-difluorophenyl)-2-[(3-methoxyoxan-4-yl)methyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-2-[(3-methoxyoxan-4-yl)methyl]guanidine
CID 122097402
1-(2,5-difluorophenyl)-2-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]guanidine
CID 122099299
1-(2,5-difluorophenyl)-2-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]guanidine
CID 122082845
2-benzyl-1-(2,5-difluorophenyl)guanidine
CID 130567646
1-(2,5-difluorophenyl)-2-methylguanidine
CID 62379981
2,5-difluoro-N-(oxolan-3-ylmethyl)aniline
CID 43192592
N'-[(3-methoxyoxan-4-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 122097394
N-(2,5-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]methylsulfonyl]benzamide
CID 159692994
3-(2,5-difluorophenoxy)oxan-4-amine
CID 63268749
[(3R,4S)-3-methoxyoxan-4-yl]methanamine
CID 67314237
1-(2-chloro-5-fluorophenyl)-2-ethylguanidine
CID 107531361
2-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-1-(2,5-difluorophenyl)guanidine
CID 122098759

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-[(3-methoxyoxan-4-yl)methyl]guanidine?
The IUPAC name of 1-(2,5-difluorophenyl)-2-[(3-methoxyoxan-4-yl)methyl]guanidine (CID 122097384) is 1-(2,5-difluorophenyl)-2-[(3-methoxyoxan-4-yl)methyl]guanidine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-[(3-methoxyoxan-4-yl)methyl]guanidine?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-[(3-methoxyoxan-4-yl)methyl]guanidine is COC1COCCC1C/N=C(\N)Nc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-[(3-methoxyoxan-4-yl)methyl]guanidine?
The InChIKey is VHOKKUXGDWWNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O2/c1-20-13-8-21-5-4-9(13)7-18-14(17)19-12-6-10(15)2-3-11(12)16/h2-3,6,9,13H,4-5,7-8H2,1H3,(H3,17,18,19).
What are the key properties of 1-(2,5-difluorophenyl)-2-[(3-methoxyoxan-4-yl)methyl]guanidine?
1-(2,5-difluorophenyl)-2-[(3-methoxyoxan-4-yl)methyl]guanidine has a molecular weight of 299.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-[(3-methoxyoxan-4-yl)methyl]guanidine is sourced from PubChem (CID 122097384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).