2-[1-(2-fluorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide

C17H20FN3 — CID 107930493

IUPAC2-[1-(2-fluorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1N(C)C(C)c1ccccc1F
InChIInChI=1S/C17H20FN3/c1-11-8-9-16(14(10-11)17(19)20)21(3)12(2)13-6-4-5-7-15(13)18/h4-10,12H,1-3H3,(H3,19,20)
InChIKeyJFHFQIWIXHKYSF-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.62
Rot. Bonds4

About 2-[1-(2-fluorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide

2-[1-(2-fluorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide (PubChem CID 107930493) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide
PubChem CID107930493
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC Name2-[1-(2-fluorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1N(C)C(C)c1ccccc1F
InChIInChI=1S/C17H20FN3/c1-11-8-9-16(14(10-11)17(19)20)21(3)12(2)13-6-4-5-7-15(13)18/h4-10,12H,1-3H3,(H3,19,20)
InChIKeyJFHFQIWIXHKYSF-UHFFFAOYSA-N
XLogP3.62
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.62
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

2-[1-(2-chlorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide
CID 107930491
2-[1-(2-fluorophenyl)ethyl-methylamino]-5-methylbenzoic acid
CID 62984177
2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylaniline
CID 62980338
2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzenecarboximidamide
CID 62979001
6-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-2-carboximidamide
CID 64595166
2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide
CID 62978295
5-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide
CID 62978649
2-(2-fluorophenyl)sulfanyl-4-methylbenzenecarboximidamide
CID 62306806
3-N-[1-(2-fluorophenyl)ethyl]-3-N,2-dimethylbenzene-1,3-diamine
CID 63062748
4-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzenecarboximidamide
CID 62308122
4-chloro-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine
CID 62980215
5-methyl-2-[methyl(propyl)amino]benzenecarboximidamide
CID 107930328

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide?
The IUPAC name of 2-[1-(2-fluorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide (CID 107930493) is 2-[1-(2-fluorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[1-(2-fluorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide?
The canonical SMILES for 2-[1-(2-fluorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide is [H]/N=C(\N)c1cc(C)ccc1N(C)C(C)c1ccccc1F.
What is the InChIKey of 2-[1-(2-fluorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide?
The InChIKey is JFHFQIWIXHKYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3/c1-11-8-9-16(14(10-11)17(19)20)21(3)12(2)13-6-4-5-7-15(13)18/h4-10,12H,1-3H3,(H3,19,20).
What are the key properties of 2-[1-(2-fluorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide?
2-[1-(2-fluorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide has a molecular weight of 285.37 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide is sourced from PubChem (CID 107930493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).