N'-[3-(aminomethyl)phenyl]-2-fluoroethanimidamide

C9H12FN3 — CID 10176386

IUPACN'-[3-(aminomethyl)phenyl]-2-fluoroethanimidamide
SMILESNCc1cccc(/N=C(/N)CF)c1
InChIInChI=1S/C9H12FN3/c10-5-9(12)13-8-3-1-2-7(4-8)6-11/h1-4H,5-6,11H2,(H2,12,13)
InChIKeyAIYKCDKFCIADCI-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.10
Rot. Bonds3

About N'-[3-(aminomethyl)phenyl]-2-fluoroethanimidamide

N'-[3-(aminomethyl)phenyl]-2-fluoroethanimidamide (PubChem CID 10176386) has the molecular formula C9H12FN3 and a molecular weight of 181.21 g/mol. Its IUPAC name is N'-[3-(aminomethyl)phenyl]-2-fluoroethanimidamide.

Molecular Properties

Compound NameN'-[3-(aminomethyl)phenyl]-2-fluoroethanimidamide
PubChem CID10176386
Molecular FormulaC9H12FN3
Molecular Weight181.21 g/mol
Exact Mass181.10
IUPAC NameN'-[3-(aminomethyl)phenyl]-2-fluoroethanimidamide
SMILESNCc1cccc(/N=C(/N)CF)c1
InChIInChI=1S/C9H12FN3/c10-5-9(12)13-8-3-1-2-7(4-8)6-11/h1-4H,5-6,11H2,(H2,12,13)
InChIKeyAIYKCDKFCIADCI-UHFFFAOYSA-N
XLogP1.10
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.10
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-Aminobenzylamine
CID 4628831
N-[4-(trifluoromethyl)phenyl]guanidine
CID 19841587
N-p-Tolyl-guanidine
CID 409364
3,4-Dihydroquinolin-2-amine
CID 4102304
N-(3-methylphenyl)imidodicarbonimidic diamide
CID 29667
N-(3-Dimethylaminomethyl-phenyl)-acetamidine
CID 10521987
N-[3-(2-Amino-ethyl)-phenyl]-acetamidine
CID 10562607
N-(3-Methylaminomethyl-phenyl)-acetamidine
CID 10569061
N-(3-Aminomethyl-phenyl)-2-methylsulfanyl-acetamidine
CID 10761718
3-Acetimidoylamino-benzamidine
CID 10776989
2-Amino-N-(3-aminomethyl-phenyl)-acetamidine
CID 10788294
N-(3-Aminomethyl-phenyl)-acetamidine
CID 18356525

Frequently Asked Questions

What is the IUPAC name of N'-[3-(aminomethyl)phenyl]-2-fluoroethanimidamide?
The IUPAC name of N'-[3-(aminomethyl)phenyl]-2-fluoroethanimidamide (CID 10176386) is N'-[3-(aminomethyl)phenyl]-2-fluoroethanimidamide.
What is the SMILES notation for N'-[3-(aminomethyl)phenyl]-2-fluoroethanimidamide?
The canonical SMILES for N'-[3-(aminomethyl)phenyl]-2-fluoroethanimidamide is NCc1cccc(/N=C(/N)CF)c1.
What is the InChIKey of N'-[3-(aminomethyl)phenyl]-2-fluoroethanimidamide?
The InChIKey is AIYKCDKFCIADCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3/c10-5-9(12)13-8-3-1-2-7(4-8)6-11/h1-4H,5-6,11H2,(H2,12,13).
What are the key properties of N'-[3-(aminomethyl)phenyl]-2-fluoroethanimidamide?
N'-[3-(aminomethyl)phenyl]-2-fluoroethanimidamide has a molecular weight of 181.21 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(aminomethyl)phenyl]-2-fluoroethanimidamide is sourced from PubChem (CID 10176386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).