N-(dimethylaminomethylidene)-4-fluoro-N'-(4-methylphenyl)benzenecarboximidamide

C17H18FN3 — CID 13111313

IUPACN-(dimethylaminomethylidene)-4-fluoro-N'-(4-methylphenyl)benzenecarboximidamide
SMILESCc1ccc(/N=C(\N=C\N(C)C)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FN3/c1-13-4-10-16(11-5-13)20-17(19-12-21(2)3)14-6-8-15(18)9-7-14/h4-12H,1-3H3/b19-12+,20-17-
InChIKeyIROYOPPNXUDDET-PRAGTUARSA-N
MW283.35 g/mol
LogP3.80
Rot. Bonds3

About N-(dimethylaminomethylidene)-4-fluoro-N'-(4-methylphenyl)benzenecarboximidamide

N-(dimethylaminomethylidene)-4-fluoro-N'-(4-methylphenyl)benzenecarboximidamide (PubChem CID 13111313) has the molecular formula C17H18FN3 and a molecular weight of 283.35 g/mol. Its IUPAC name is N-(dimethylaminomethylidene)-4-fluoro-N'-(4-methylphenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN-(dimethylaminomethylidene)-4-fluoro-N'-(4-methylphenyl)benzenecarboximidamide
PubChem CID13111313
Molecular FormulaC17H18FN3
Molecular Weight283.35 g/mol
Exact Mass283.15
IUPAC NameN-(dimethylaminomethylidene)-4-fluoro-N'-(4-methylphenyl)benzenecarboximidamide
SMILESCc1ccc(/N=C(\N=C\N(C)C)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FN3/c1-13-4-10-16(11-5-13)20-17(19-12-21(2)3)14-6-8-15(18)9-7-14/h4-12H,1-3H3/b19-12+,20-17-
InChIKeyIROYOPPNXUDDET-PRAGTUARSA-N
XLogP3.80
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

N-(dimethylaminomethylidene)-N'-(4-methylphenyl)benzenecarboximidamide
CID 10912424
N'-(4-bromophenyl)-N-(dimethylaminomethylidene)benzenecarboximidamide
CID 10969561
1-N,2-N-bis(4-fluorophenyl)-1-N',2-N'-bis(4-methylphenyl)ethanediimidamide
CID 4105169
1-fluoro-4-methylbenzene;methane
CID 158431518
chromium;1-fluoro-4-methylbenzene
CID 139244082
N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 90825251
2-(4-methylphenyl)guanidine;hydrochloride
CID 3028500
2-(4-fluorophenyl)-N,N-dimethylprop-1-en-1-amine
CID 174492825
(Z)-N',N'-dimethyl-1-(4-methylphenyl)ethene-1,2-diamine
CID 149258743
N'-amino-4-fluorobenzenecarboximidamide;hydrochloride
CID 68690299
N'-ethyl-N-ethylidene-4-methylbenzenecarboximidamide
CID 145161963
2-N-(4-fluorophenyl)-1-N-methylpropane-1,2-diimine
CID 90919854

Frequently Asked Questions

What is the IUPAC name of N-(dimethylaminomethylidene)-4-fluoro-N'-(4-methylphenyl)benzenecarboximidamide?
The IUPAC name of N-(dimethylaminomethylidene)-4-fluoro-N'-(4-methylphenyl)benzenecarboximidamide (CID 13111313) is N-(dimethylaminomethylidene)-4-fluoro-N'-(4-methylphenyl)benzenecarboximidamide.
What is the SMILES notation for N-(dimethylaminomethylidene)-4-fluoro-N'-(4-methylphenyl)benzenecarboximidamide?
The canonical SMILES for N-(dimethylaminomethylidene)-4-fluoro-N'-(4-methylphenyl)benzenecarboximidamide is Cc1ccc(/N=C(\N=C\N(C)C)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(dimethylaminomethylidene)-4-fluoro-N'-(4-methylphenyl)benzenecarboximidamide?
The InChIKey is IROYOPPNXUDDET-PRAGTUARSA-N. The full InChI is InChI=1S/C17H18FN3/c1-13-4-10-16(11-5-13)20-17(19-12-21(2)3)14-6-8-15(18)9-7-14/h4-12H,1-3H3/b19-12+,20-17-.
What are the key properties of N-(dimethylaminomethylidene)-4-fluoro-N'-(4-methylphenyl)benzenecarboximidamide?
N-(dimethylaminomethylidene)-4-fluoro-N'-(4-methylphenyl)benzenecarboximidamide has a molecular weight of 283.35 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylaminomethylidene)-4-fluoro-N'-(4-methylphenyl)benzenecarboximidamide is sourced from PubChem (CID 13111313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).