3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide

C17H18FN3 — CID 43185472

IUPAC3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2c3ccccc3CC2C)c(F)c1
InChIInChI=1S/C17H18FN3/c1-11-8-12-4-2-3-5-16(12)21(11)10-14-7-6-13(17(19)20)9-15(14)18/h2-7,9,11H,8,10H2,1H3,(H3,19,20)
InChIKeyAGUYXCALVCBOJT-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.06
Rot. Bonds3

About 3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide

3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide (PubChem CID 43185472) has the molecular formula C17H18FN3 and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide
PubChem CID43185472
Molecular FormulaC17H18FN3
Molecular Weight283.35 g/mol
Exact Mass283.15
IUPAC Name3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2c3ccccc3CC2C)c(F)c1
InChIInChI=1S/C17H18FN3/c1-11-8-12-4-2-3-5-16(12)21(11)10-14-7-6-13(17(19)20)9-15(14)18/h2-7,9,11H,8,10H2,1H3,(H3,19,20)
InChIKeyAGUYXCALVCBOJT-UHFFFAOYSA-N
XLogP3.06
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.06
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-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]aniline
CID 64769040
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide
CID 24695357
4-fluoro-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarbothioamide
CID 43096906
4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-3-fluorobenzenecarboximidamide
CID 79188251
[5-fluoro-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 63288980
[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 18071187
3-fluoro-4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline
CID 64769628
3-fluoro-4-[(4-propylpiperazin-1-yl)methyl]benzenecarboximidamide
CID 24709254
4-(1,3-dihydroisoindol-2-yl)-3-fluorobenzenecarboximidamide
CID 55050286
3-fluoro-4-[(3-hydroxypyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 55130589
1-[(2,4-difluorophenyl)methyl]indole-5-carboximidamide
CID 142911354
2-methyl-1-[(2-phenylphenyl)methyl]-2,3-dihydroindole
CID 70112663

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide?
The IUPAC name of 3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide (CID 43185472) is 3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide?
The canonical SMILES for 3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CN2c3ccccc3CC2C)c(F)c1.
What is the InChIKey of 3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide?
The InChIKey is AGUYXCALVCBOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3/c1-11-8-12-4-2-3-5-16(12)21(11)10-14-7-6-13(17(19)20)9-15(14)18/h2-7,9,11H,8,10H2,1H3,(H3,19,20).
What are the key properties of 3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide?
3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide has a molecular weight of 283.35 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide is sourced from PubChem (CID 43185472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).