N'-amino-N-methyl-2-phenyl-N-[4-(trifluoromethyl)phenyl]ethanimidamide

C16H16F3N3 — CID 123733805

IUPACN'-amino-N-methyl-2-phenyl-N-[4-(trifluoromethyl)phenyl]ethanimidamide
SMILESCN(C(Cc1ccccc1)=NN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3N3/c1-22(14-9-7-13(8-10-14)16(17,18)19)15(21-20)11-12-5-3-2-4-6-12/h2-10H,11,20H2,1H3
InChIKeyLLZNLRBJQSYBCA-UHFFFAOYSA-N
MW307.32 g/mol
LogP3.66
Rot. Bonds3

About N'-amino-N-methyl-2-phenyl-N-[4-(trifluoromethyl)phenyl]ethanimidamide

N'-amino-N-methyl-2-phenyl-N-[4-(trifluoromethyl)phenyl]ethanimidamide (PubChem CID 123733805) has the molecular formula C16H16F3N3 and a molecular weight of 307.32 g/mol. Its IUPAC name is N'-amino-N-methyl-2-phenyl-N-[4-(trifluoromethyl)phenyl]ethanimidamide.

Molecular Properties

Compound NameN'-amino-N-methyl-2-phenyl-N-[4-(trifluoromethyl)phenyl]ethanimidamide
PubChem CID123733805
Molecular FormulaC16H16F3N3
Molecular Weight307.32 g/mol
Exact Mass307.13
IUPAC NameN'-amino-N-methyl-2-phenyl-N-[4-(trifluoromethyl)phenyl]ethanimidamide
SMILESCN(C(Cc1ccccc1)=NN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3N3/c1-22(14-9-7-13(8-10-14)16(17,18)19)15(21-20)11-12-5-3-2-4-6-12/h2-10H,11,20H2,1H3
InChIKeyLLZNLRBJQSYBCA-UHFFFAOYSA-N
XLogP3.66
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
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

methyl-[4-(trifluoromethyl)phenyl]carbamic acid
CID 54260410
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[2-(N-methylanilino)-2-oxoethyl] 4-(trifluoromethyl)benzoate
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(2R)-3-methyl-2-[N-(2-phenylethyl)-4-(trifluoromethyl)anilino]butanamide
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N,N-dimethyl-4-(trifluoromethyl)aniline
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2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
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N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
2-phenylethanehydrazonoyl chloride
CID 130133469
1-(1-phenylpenta-2,3-dien-2-yl)-4-(trifluoromethyl)benzene
CID 162539205

Frequently Asked Questions

What is the IUPAC name of N'-amino-N-methyl-2-phenyl-N-[4-(trifluoromethyl)phenyl]ethanimidamide?
The IUPAC name of N'-amino-N-methyl-2-phenyl-N-[4-(trifluoromethyl)phenyl]ethanimidamide (CID 123733805) is N'-amino-N-methyl-2-phenyl-N-[4-(trifluoromethyl)phenyl]ethanimidamide.
What is the SMILES notation for N'-amino-N-methyl-2-phenyl-N-[4-(trifluoromethyl)phenyl]ethanimidamide?
The canonical SMILES for N'-amino-N-methyl-2-phenyl-N-[4-(trifluoromethyl)phenyl]ethanimidamide is CN(C(Cc1ccccc1)=NN)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-amino-N-methyl-2-phenyl-N-[4-(trifluoromethyl)phenyl]ethanimidamide?
The InChIKey is LLZNLRBJQSYBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3/c1-22(14-9-7-13(8-10-14)16(17,18)19)15(21-20)11-12-5-3-2-4-6-12/h2-10H,11,20H2,1H3.
What are the key properties of N'-amino-N-methyl-2-phenyl-N-[4-(trifluoromethyl)phenyl]ethanimidamide?
N'-amino-N-methyl-2-phenyl-N-[4-(trifluoromethyl)phenyl]ethanimidamide has a molecular weight of 307.32 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-N-methyl-2-phenyl-N-[4-(trifluoromethyl)phenyl]ethanimidamide is sourced from PubChem (CID 123733805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).