3-[(2,4-difluorophenyl)methyl-methylamino]benzenecarboximidamide

C15H15F2N3 — CID 62970652

IUPAC3-[(2,4-difluorophenyl)methyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(N(C)Cc2ccc(F)cc2F)c1
InChIInChI=1S/C15H15F2N3/c1-20(9-11-5-6-12(16)8-14(11)17)13-4-2-3-10(7-13)15(18)19/h2-8H,9H2,1H3,(H3,18,19)
InChIKeyDHFBRTAUIRERTR-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.89
Rot. Bonds4

About 3-[(2,4-difluorophenyl)methyl-methylamino]benzenecarboximidamide

3-[(2,4-difluorophenyl)methyl-methylamino]benzenecarboximidamide (PubChem CID 62970652) has the molecular formula C15H15F2N3 and a molecular weight of 275.30 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)methyl-methylamino]benzenecarboximidamide.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)methyl-methylamino]benzenecarboximidamide
PubChem CID62970652
Molecular FormulaC15H15F2N3
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name3-[(2,4-difluorophenyl)methyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(N(C)Cc2ccc(F)cc2F)c1
InChIInChI=1S/C15H15F2N3/c1-20(9-11-5-6-12(16)8-14(11)17)13-4-2-3-10(7-13)15(18)19/h2-8H,9H2,1H3,(H3,18,19)
InChIKeyDHFBRTAUIRERTR-UHFFFAOYSA-N
XLogP2.89
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.89
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

3-[2-fluoroethyl(methyl)amino]benzenecarboximidamide
CID 80696188
3-[(3,5-dimethylphenyl)methyl-methylamino]benzenecarboximidamide
CID 62971701
3-[methyl(propyl)amino]benzenecarboximidamide
CID 62970999
3-[methyl(thiophen-3-ylmethyl)amino]benzenecarboximidamide
CID 62969953
3-[[(2-bromo-4-fluorophenyl)methyl-methylamino]methyl]benzenecarboximidamide
CID 62967389
3-[[(2-chloro-4-fluorophenyl)methyl-methylamino]methyl]benzenecarboximidamide
CID 62968244
4-[(N-ethyl-3-methylanilino)methyl]-3-fluorobenzenecarboximidamide
CID 61075864
4-[(3-methoxy-N-methylanilino)methyl]-3-methylbenzenecarboximidamide
CID 114483506
3-[methyl(1,3-thiazol-5-ylmethyl)amino]benzenecarboximidamide
CID 112640775
3-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 62971177
3-[methyl(nonyl)amino]benzenecarboximidamide
CID 63525360
2-(2,4-difluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone
CID 105085149

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenyl)methyl-methylamino]benzenecarboximidamide?
The IUPAC name of 3-[(2,4-difluorophenyl)methyl-methylamino]benzenecarboximidamide (CID 62970652) is 3-[(2,4-difluorophenyl)methyl-methylamino]benzenecarboximidamide.
What is the SMILES notation for 3-[(2,4-difluorophenyl)methyl-methylamino]benzenecarboximidamide?
The canonical SMILES for 3-[(2,4-difluorophenyl)methyl-methylamino]benzenecarboximidamide is [H]/N=C(\N)c1cccc(N(C)Cc2ccc(F)cc2F)c1.
What is the InChIKey of 3-[(2,4-difluorophenyl)methyl-methylamino]benzenecarboximidamide?
The InChIKey is DHFBRTAUIRERTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3/c1-20(9-11-5-6-12(16)8-14(11)17)13-4-2-3-10(7-13)15(18)19/h2-8H,9H2,1H3,(H3,18,19).
What are the key properties of 3-[(2,4-difluorophenyl)methyl-methylamino]benzenecarboximidamide?
3-[(2,4-difluorophenyl)methyl-methylamino]benzenecarboximidamide has a molecular weight of 275.30 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)methyl-methylamino]benzenecarboximidamide is sourced from PubChem (CID 62970652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).