N'-(2-fluoro-5-methylphenyl)-2-methylpropanimidamide

C11H15FN2 — CID 63179047

IUPACN'-(2-fluoro-5-methylphenyl)-2-methylpropanimidamide
SMILESCc1ccc(F)c(/N=C(/N)C(C)C)c1
InChIInChI=1S/C11H15FN2/c1-7(2)11(13)14-10-6-8(3)4-5-9(10)12/h4-7H,1-3H3,(H2,13,14)
InChIKeyORWLJKCBTXEMRT-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.78
Rot. Bonds2

About N'-(2-fluoro-5-methylphenyl)-2-methylpropanimidamide

N'-(2-fluoro-5-methylphenyl)-2-methylpropanimidamide (PubChem CID 63179047) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is N'-(2-fluoro-5-methylphenyl)-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-(2-fluoro-5-methylphenyl)-2-methylpropanimidamide
PubChem CID63179047
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC NameN'-(2-fluoro-5-methylphenyl)-2-methylpropanimidamide
SMILESCc1ccc(F)c(/N=C(/N)C(C)C)c1
InChIInChI=1S/C11H15FN2/c1-7(2)11(13)14-10-6-8(3)4-5-9(10)12/h4-7H,1-3H3,(H2,13,14)
InChIKeyORWLJKCBTXEMRT-UHFFFAOYSA-N
XLogP2.78
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.78
H-Bond Donors ≤ 51
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'-(2-fluoro-5-methylphenyl)-2,2-dimethylpropanimidamide
CID 63178251
N'-(2,4-dichlorophenyl)-2-methylpropanimidamide
CID 63174312
(1R)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072341
(1S)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072344
1,2-difluoro-4-methylbenzene;methanamine
CID 142872799
3-amino-N-(2-fluoro-4-methylphenyl)-3-hydroxyimino-2-methylpropanamide
CID 76926221
1-(2-fluoro-5-methylphenyl)-4-methylpentan-2-one
CID 149183535
1-(2-fluoro-5-methylphenyl)-2-(2-methylpropyl)guanidine
CID 62378730
2-amino-3-(2-fluoro-5-methylphenyl)butanoic acid
CID 138535537
N'-(2-fluoro-4-methylphenyl)cyclopropanecarboximidamide
CID 63178403
2-[(2-fluoro-5-methylphenyl)iminomethyl]phenol
CID 4857118
tert-butyl (2S)-3-(2-fluoro-5-methylphenyl)-2-methylpropanoate
CID 166490305

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluoro-5-methylphenyl)-2-methylpropanimidamide?
The IUPAC name of N'-(2-fluoro-5-methylphenyl)-2-methylpropanimidamide (CID 63179047) is N'-(2-fluoro-5-methylphenyl)-2-methylpropanimidamide.
What is the SMILES notation for N'-(2-fluoro-5-methylphenyl)-2-methylpropanimidamide?
The canonical SMILES for N'-(2-fluoro-5-methylphenyl)-2-methylpropanimidamide is Cc1ccc(F)c(/N=C(/N)C(C)C)c1.
What is the InChIKey of N'-(2-fluoro-5-methylphenyl)-2-methylpropanimidamide?
The InChIKey is ORWLJKCBTXEMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c1-7(2)11(13)14-10-6-8(3)4-5-9(10)12/h4-7H,1-3H3,(H2,13,14).
What are the key properties of N'-(2-fluoro-5-methylphenyl)-2-methylpropanimidamide?
N'-(2-fluoro-5-methylphenyl)-2-methylpropanimidamide has a molecular weight of 194.25 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluoro-5-methylphenyl)-2-methylpropanimidamide is sourced from PubChem (CID 63179047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).