(Z)-1-(4-fluorophenyl)-1-imino-2,4-dimethylpent-2-en-3-amine

C13H17FN2 — CID 118554911

IUPAC(Z)-1-(4-fluorophenyl)-1-imino-2,4-dimethylpent-2-en-3-amine
SMILES[H]/N=C(C(\C)=C(/N)C(C)C)/c1ccc(F)cc1
InChIInChI=1S/C13H17FN2/c1-8(2)12(15)9(3)13(16)10-4-6-11(14)7-5-10/h4-8,16H,15H2,1-3H3/b12-9-,16-13+
InChIKeyAMZRTEKOUVMTPR-RPEIIFLXSA-N
MW220.29 g/mol
LogP3.08
Rot. Bonds3

About (Z)-1-(4-fluorophenyl)-1-imino-2,4-dimethylpent-2-en-3-amine

(Z)-1-(4-fluorophenyl)-1-imino-2,4-dimethylpent-2-en-3-amine (PubChem CID 118554911) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is (Z)-1-(4-fluorophenyl)-1-imino-2,4-dimethylpent-2-en-3-amine.

Molecular Properties

Compound Name(Z)-1-(4-fluorophenyl)-1-imino-2,4-dimethylpent-2-en-3-amine
PubChem CID118554911
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name(Z)-1-(4-fluorophenyl)-1-imino-2,4-dimethylpent-2-en-3-amine
SMILES[H]/N=C(C(\C)=C(/N)C(C)C)/c1ccc(F)cc1
InChIInChI=1S/C13H17FN2/c1-8(2)12(15)9(3)13(16)10-4-6-11(14)7-5-10/h4-8,16H,15H2,1-3H3/b12-9-,16-13+
InChIKeyAMZRTEKOUVMTPR-RPEIIFLXSA-N
XLogP3.08
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-1-(4-fluorophenyl)-1-imino-2,4-dimethylpent-2-en-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluorobenzenecarboximidamide;hydroiodide
CID 68780775
ethane;(Z)-4-imino-3-methyl-4-phenylbut-2-en-2-amine
CID 144506172
carbamimidoyl 4-fluorobenzenecarboximidothioate
CID 130296275
3-(4-fluorophenyl)-4-methyl-2-propan-2-ylpent-2-enamide
CID 175006765
4-fluoro-N'-(4-fluorobenzenecarboximidoyl)benzenecarboximidamide
CID 130271294
1-(4-fluorophenyl)-2-imino-2-pyridin-4-ylethanone
CID 89234992
3-(4-fluorophenyl)-3-iminoprop-1-en-1-amine
CID 173382294
1-(4-fluorophenyl)-2-methylpentane-1,4-dione
CID 64720461
1-(4-fluorophenyl)-2-methylpropan-1-one;sulfur dioxide
CID 158795498
2-[4-(2-methylpropyl)phenyl]ethanimidamide
CID 58177919
2-imino-2-(4-sulfanylphenyl)acetamide;methanamine
CID 143392409
2,2,2-tris(4-fluorophenyl)ethanimidamide
CID 68675497

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-fluorophenyl)-1-imino-2,4-dimethylpent-2-en-3-amine?
The IUPAC name of (Z)-1-(4-fluorophenyl)-1-imino-2,4-dimethylpent-2-en-3-amine (CID 118554911) is (Z)-1-(4-fluorophenyl)-1-imino-2,4-dimethylpent-2-en-3-amine.
What is the SMILES notation for (Z)-1-(4-fluorophenyl)-1-imino-2,4-dimethylpent-2-en-3-amine?
The canonical SMILES for (Z)-1-(4-fluorophenyl)-1-imino-2,4-dimethylpent-2-en-3-amine is [H]/N=C(C(\C)=C(/N)C(C)C)/c1ccc(F)cc1.
What is the InChIKey of (Z)-1-(4-fluorophenyl)-1-imino-2,4-dimethylpent-2-en-3-amine?
The InChIKey is AMZRTEKOUVMTPR-RPEIIFLXSA-N. The full InChI is InChI=1S/C13H17FN2/c1-8(2)12(15)9(3)13(16)10-4-6-11(14)7-5-10/h4-8,16H,15H2,1-3H3/b12-9-,16-13+.
What are the key properties of (Z)-1-(4-fluorophenyl)-1-imino-2,4-dimethylpent-2-en-3-amine?
(Z)-1-(4-fluorophenyl)-1-imino-2,4-dimethylpent-2-en-3-amine has a molecular weight of 220.29 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-fluorophenyl)-1-imino-2,4-dimethylpent-2-en-3-amine is sourced from PubChem (CID 118554911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).