(1Z)-1-N-(4-fluorophenyl)-1-N-methylbuta-1,3-diene-1,3-diamine

C11H13FN2 — CID 130222853

IUPAC(1Z)-1-N-(4-fluorophenyl)-1-N-methylbuta-1,3-diene-1,3-diamine
SMILESC=C(N)/C=C\N(C)c1ccc(F)cc1
InChIInChI=1S/C11H13FN2/c1-9(13)7-8-14(2)11-5-3-10(12)4-6-11/h3-8H,1,13H2,2H3/b8-7-
InChIKeyXDMIJDCDKHEGRD-FPLPWBNLSA-N
MW192.24 g/mol
LogP2.25
Rot. Bonds3

About (1Z)-1-N-(4-fluorophenyl)-1-N-methylbuta-1,3-diene-1,3-diamine

(1Z)-1-N-(4-fluorophenyl)-1-N-methylbuta-1,3-diene-1,3-diamine (PubChem CID 130222853) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is (1Z)-1-N-(4-fluorophenyl)-1-N-methylbuta-1,3-diene-1,3-diamine.

Molecular Properties

Compound Name(1Z)-1-N-(4-fluorophenyl)-1-N-methylbuta-1,3-diene-1,3-diamine
PubChem CID130222853
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name(1Z)-1-N-(4-fluorophenyl)-1-N-methylbuta-1,3-diene-1,3-diamine
SMILESC=C(N)/C=C\N(C)c1ccc(F)cc1
InChIInChI=1S/C11H13FN2/c1-9(13)7-8-14(2)11-5-3-10(12)4-6-11/h3-8H,1,13H2,2H3/b8-7-
InChIKeyXDMIJDCDKHEGRD-FPLPWBNLSA-N
XLogP2.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1Z)-1-N-(4-fluorophenyl)-1-N-methylbuta-1,3-diene-1,3-diamine 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

N-ethenyl-4-fluoro-N-methylaniline
CID 130442199
(Z)-1-(N-amino-4-fluoroanilino)prop-1-en-2-amine
CID 146755291
2-deuterio-4-fluoro-N,N-dimethylaniline
CID 146161763
1-(4-fluorophenyl)-N,N-dimethylethenamine
CID 54285953
4-fluoro-N-[(E)-2-fluoro-3-methylpent-1-enyl]-N-methylaniline
CID 163941610
2-N-(4-fluorophenyl)-1-N,2-N-dimethylprop-2-ene-1,2-diamine
CID 154666973
4-fluoro-N-methyl-N-(3-methylidenepentyl)aniline
CID 134579409
4-[[3,4-diamino-N-[(4-fluorophenyl)methyl]anilino]methyl]penta-2,4-dien-1-ol
CID 123272879
N-(4-carbamothioylphenyl)-4-fluoro-N-methylbenzamide
CID 62971873
4-fluoro-N-(4-fluorophenyl)-N-hexadec-1-en-2-ylaniline
CID 102369571
1-(4-fluorophenyl)-1-methyl-2-phenylguanidine
CID 62362300
N-(4-fluorophenyl)-N-methylcarbamothioyl chloride
CID 2759123

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-N-(4-fluorophenyl)-1-N-methylbuta-1,3-diene-1,3-diamine?
The IUPAC name of (1Z)-1-N-(4-fluorophenyl)-1-N-methylbuta-1,3-diene-1,3-diamine (CID 130222853) is (1Z)-1-N-(4-fluorophenyl)-1-N-methylbuta-1,3-diene-1,3-diamine.
What is the SMILES notation for (1Z)-1-N-(4-fluorophenyl)-1-N-methylbuta-1,3-diene-1,3-diamine?
The canonical SMILES for (1Z)-1-N-(4-fluorophenyl)-1-N-methylbuta-1,3-diene-1,3-diamine is C=C(N)/C=C\N(C)c1ccc(F)cc1.
What is the InChIKey of (1Z)-1-N-(4-fluorophenyl)-1-N-methylbuta-1,3-diene-1,3-diamine?
The InChIKey is XDMIJDCDKHEGRD-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H13FN2/c1-9(13)7-8-14(2)11-5-3-10(12)4-6-11/h3-8H,1,13H2,2H3/b8-7-.
What are the key properties of (1Z)-1-N-(4-fluorophenyl)-1-N-methylbuta-1,3-diene-1,3-diamine?
(1Z)-1-N-(4-fluorophenyl)-1-N-methylbuta-1,3-diene-1,3-diamine has a molecular weight of 192.24 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-N-(4-fluorophenyl)-1-N-methylbuta-1,3-diene-1,3-diamine is sourced from PubChem (CID 130222853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).