N-(4-fluorophenyl)-N,2,2-trimethylpropanimidamide

C12H17FN2 — CID 63176690

IUPACN-(4-fluorophenyl)-N,2,2-trimethylpropanimidamide
SMILES[H]/N=C(/N(C)c1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C12H17FN2/c1-12(2,3)11(14)15(4)10-7-5-9(13)6-8-10/h5-8,14H,1-4H3/b14-11+
InChIKeyDETMSMISQQVBFJ-SDNWHVSQSA-N
MW208.28 g/mol
LogP3.29
Rot. Bonds1

About N-(4-fluorophenyl)-N,2,2-trimethylpropanimidamide

N-(4-fluorophenyl)-N,2,2-trimethylpropanimidamide (PubChem CID 63176690) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N,2,2-trimethylpropanimidamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N,2,2-trimethylpropanimidamide
PubChem CID63176690
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC NameN-(4-fluorophenyl)-N,2,2-trimethylpropanimidamide
SMILES[H]/N=C(/N(C)c1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C12H17FN2/c1-12(2,3)11(14)15(4)10-7-5-9(13)6-8-10/h5-8,14H,1-4H3/b14-11+
InChIKeyDETMSMISQQVBFJ-SDNWHVSQSA-N
XLogP3.29
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.29
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-(4-fluorophenyl)-N-(4-methoxy-3,3-dimethylbut-1-en-2-yl)ethanimidamide
CID 155318505
N-(4-fluorophenyl)-N-methylcarbamothioyl chloride
CID 2759123
2-(4-fluorophenyl)-N,N-dimethylethanimidamide
CID 63182016
1-(4-tert-butylphenyl)-1-methylguanidine
CID 139724615
N-(4-fluorophenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80550035
N-(4-fluorophenyl)-N-methylpent-4-ynamide
CID 86086919
2-N-(4-fluorophenyl)-1-N,2-N-dimethylprop-2-ene-1,2-diamine
CID 154666973
N-(2-hydroxyethyl)-N,2,2-trimethylpropanimidamide
CID 161343913
N,2,2-trimethyl-N-(2-phenylethyl)propanimidamide
CID 65487169
4-fluoro-N-methyl-N-[(E)-pent-2-en-2-yl]aniline
CID 170134397
N-[3-(dimethylamino)propyl]-N,2,2-trimethylpropanimidamide
CID 63726393
1-(4-fluorophenyl)-N,N-dimethylethenamine
CID 54285953

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N,2,2-trimethylpropanimidamide?
The IUPAC name of N-(4-fluorophenyl)-N,2,2-trimethylpropanimidamide (CID 63176690) is N-(4-fluorophenyl)-N,2,2-trimethylpropanimidamide.
What is the SMILES notation for N-(4-fluorophenyl)-N,2,2-trimethylpropanimidamide?
The canonical SMILES for N-(4-fluorophenyl)-N,2,2-trimethylpropanimidamide is [H]/N=C(/N(C)c1ccc(F)cc1)C(C)(C)C.
What is the InChIKey of N-(4-fluorophenyl)-N,2,2-trimethylpropanimidamide?
The InChIKey is DETMSMISQQVBFJ-SDNWHVSQSA-N. The full InChI is InChI=1S/C12H17FN2/c1-12(2,3)11(14)15(4)10-7-5-9(13)6-8-10/h5-8,14H,1-4H3/b14-11+.
What are the key properties of N-(4-fluorophenyl)-N,2,2-trimethylpropanimidamide?
N-(4-fluorophenyl)-N,2,2-trimethylpropanimidamide has a molecular weight of 208.28 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N,2,2-trimethylpropanimidamide is sourced from PubChem (CID 63176690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).