N-amino-2-(3-fluorophenyl)-N'-methylethanimidamide

C9H12FN3 — CID 61362476

IUPACN-amino-2-(3-fluorophenyl)-N'-methylethanimidamide
SMILESC/N=C(/Cc1cccc(F)c1)NN
InChIInChI=1S/C9H12FN3/c1-12-9(13-11)6-7-3-2-4-8(10)5-7/h2-5H,6,11H2,1H3,(H,12,13)
InChIKeyKVDNFFVKRFSKCS-UHFFFAOYSA-N
MW181.21 g/mol
LogP0.86
Rot. Bonds2

About N-amino-2-(3-fluorophenyl)-N'-methylethanimidamide

N-amino-2-(3-fluorophenyl)-N'-methylethanimidamide (PubChem CID 61362476) has the molecular formula C9H12FN3 and a molecular weight of 181.21 g/mol. Its IUPAC name is N-amino-2-(3-fluorophenyl)-N'-methylethanimidamide.

Molecular Properties

Compound NameN-amino-2-(3-fluorophenyl)-N'-methylethanimidamide
PubChem CID61362476
Molecular FormulaC9H12FN3
Molecular Weight181.21 g/mol
Exact Mass181.10
IUPAC NameN-amino-2-(3-fluorophenyl)-N'-methylethanimidamide
SMILESC/N=C(/Cc1cccc(F)c1)NN
InChIInChI=1S/C9H12FN3/c1-12-9(13-11)6-7-3-2-4-8(10)5-7/h2-5H,6,11H2,1H3,(H,12,13)
InChIKeyKVDNFFVKRFSKCS-UHFFFAOYSA-N
XLogP0.86
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-2-(3-fluorophenyl)-N'-(2-methoxyethyl)ethanimidamide
CID 62542673
2-[(Z)-1-(3-fluorophenyl)propan-2-ylideneamino]guanidine
CID 115694674
3-amino-2-ethyl-1-[(3-fluorophenyl)methyl]-1-methylguanidine
CID 116513040
2-[(3-fluorophenyl)methyl]prop-2-en-1-amine
CID 117266417
1-benzyl-3-[(3-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 110954919
N-[2-(3-fluorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide
CID 43566530
1-[(3-fluorophenyl)methyl]-2-methyl-3-[(3-methylphenyl)methyl]guanidine
CID 111877635
2-[(3-fluorophenyl)methyl]guanidine
CID 14963573
N-[2-(diaminomethylideneamino)ethyl]-2-(3-fluorophenyl)acetamide
CID 119112923
N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide
CID 8743428
1-[(3-fluorophenyl)methyl]-2-methyl-3-[(4-methylphenyl)methyl]guanidine
CID 111244599
propyl 2-(3-fluorophenyl)acetate
CID 43389577

Frequently Asked Questions

What is the IUPAC name of N-amino-2-(3-fluorophenyl)-N'-methylethanimidamide?
The IUPAC name of N-amino-2-(3-fluorophenyl)-N'-methylethanimidamide (CID 61362476) is N-amino-2-(3-fluorophenyl)-N'-methylethanimidamide.
What is the SMILES notation for N-amino-2-(3-fluorophenyl)-N'-methylethanimidamide?
The canonical SMILES for N-amino-2-(3-fluorophenyl)-N'-methylethanimidamide is C/N=C(/Cc1cccc(F)c1)NN.
What is the InChIKey of N-amino-2-(3-fluorophenyl)-N'-methylethanimidamide?
The InChIKey is KVDNFFVKRFSKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3/c1-12-9(13-11)6-7-3-2-4-8(10)5-7/h2-5H,6,11H2,1H3,(H,12,13).
What are the key properties of N-amino-2-(3-fluorophenyl)-N'-methylethanimidamide?
N-amino-2-(3-fluorophenyl)-N'-methylethanimidamide has a molecular weight of 181.21 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2-(3-fluorophenyl)-N'-methylethanimidamide is sourced from PubChem (CID 61362476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).