N'-(4-amino-2-fluorophenyl)-N,N-dimethylmethanimidamide

C9H12FN3 — CID 68678041

IUPACN'-(4-amino-2-fluorophenyl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1ccc(N)cc1F
InChIInChI=1S/C9H12FN3/c1-13(2)6-12-9-4-3-7(11)5-8(9)10/h3-6H,11H2,1-2H3/b12-6+
InChIKeyAZDAGVOMUPCXKI-WUXMJOGZSA-N
MW181.21 g/mol
LogP1.63
Rot. Bonds2

About N'-(4-amino-2-fluorophenyl)-N,N-dimethylmethanimidamide

N'-(4-amino-2-fluorophenyl)-N,N-dimethylmethanimidamide (PubChem CID 68678041) has the molecular formula C9H12FN3 and a molecular weight of 181.21 g/mol. Its IUPAC name is N'-(4-amino-2-fluorophenyl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(4-amino-2-fluorophenyl)-N,N-dimethylmethanimidamide
PubChem CID68678041
Molecular FormulaC9H12FN3
Molecular Weight181.21 g/mol
Exact Mass181.10
IUPAC NameN'-(4-amino-2-fluorophenyl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1ccc(N)cc1F
InChIInChI=1S/C9H12FN3/c1-13(2)6-12-9-4-3-7(11)5-8(9)10/h3-6H,11H2,1-2H3/b12-6+
InChIKeyAZDAGVOMUPCXKI-WUXMJOGZSA-N
XLogP1.63
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(4-chloro-2-fluorophenyl)-N,N-dimethylmethanimidamide
CID 131233035
N'-(4-hydroxy-2-methylphenyl)-N,N-dimethylmethanimidamide
CID 12906259
N'-(4-iodo-2-methylphenyl)-N,N-dimethylmethanimidamide
CID 86693802
4-[(4-amino-2-methylphenyl)diazenyl]-3-methylaniline
CID 21443876
2-fluoro-1-N-methyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine
CID 60891924
N'-(2-cyano-4-methylphenyl)-N,N-dimethylmethanimidamide
CID 11446788
ethane;4-fluoro-3-methylaniline
CID 142250330
3-fluoro-4-(2-fluoro-4-methylphenyl)aniline
CID 90222645
N'-(4-chloro-2-methylphenyl)-N-[(4-chloro-2-methylphenyl)iminomethyl]-N-methylmethanimidamide
CID 71436952
4-fluoro-3-methylaniline;molecular hydrogen
CID 145121372
N'-(2-cyano-4-iodophenyl)-N,N-dimethylmethanimidamide
CID 53375374
N'-(6-chloro-2-cyano-3-pyridinyl)-N,N-dimethylmethanimidamide
CID 156505096

Frequently Asked Questions

What is the IUPAC name of N'-(4-amino-2-fluorophenyl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(4-amino-2-fluorophenyl)-N,N-dimethylmethanimidamide (CID 68678041) is N'-(4-amino-2-fluorophenyl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(4-amino-2-fluorophenyl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(4-amino-2-fluorophenyl)-N,N-dimethylmethanimidamide is CN(C)/C=N/c1ccc(N)cc1F.
What is the InChIKey of N'-(4-amino-2-fluorophenyl)-N,N-dimethylmethanimidamide?
The InChIKey is AZDAGVOMUPCXKI-WUXMJOGZSA-N. The full InChI is InChI=1S/C9H12FN3/c1-13(2)6-12-9-4-3-7(11)5-8(9)10/h3-6H,11H2,1-2H3/b12-6+.
What are the key properties of N'-(4-amino-2-fluorophenyl)-N,N-dimethylmethanimidamide?
N'-(4-amino-2-fluorophenyl)-N,N-dimethylmethanimidamide has a molecular weight of 181.21 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-amino-2-fluorophenyl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 68678041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).