2-(4-fluorophenyl)pent-4-en-2-amine

C11H14FN — CID 130060488

IUPAC2-(4-fluorophenyl)pent-4-en-2-amine
SMILESC=CCC(C)(N)c1ccc(F)cc1
InChIInChI=1S/C11H14FN/c1-3-8-11(2,13)9-4-6-10(12)7-5-9/h3-7H,1,8,13H2,2H3
InChIKeyPQPPYKOHOSPUJO-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.58
Rot. Bonds3

About 2-(4-fluorophenyl)pent-4-en-2-amine

2-(4-fluorophenyl)pent-4-en-2-amine (PubChem CID 130060488) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 2-(4-fluorophenyl)pent-4-en-2-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)pent-4-en-2-amine
PubChem CID130060488
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name2-(4-fluorophenyl)pent-4-en-2-amine
SMILESC=CCC(C)(N)c1ccc(F)cc1
InChIInChI=1S/C11H14FN/c1-3-8-11(2,13)9-4-6-10(12)7-5-9/h3-7H,1,8,13H2,2H3
InChIKeyPQPPYKOHOSPUJO-UHFFFAOYSA-N
XLogP2.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4-fluorophenyl)pent-4-en-2-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

2-(3-fluorophenyl)pent-4-en-2-amine
CID 130059150
4-(2-aminopent-4-en-2-yl)benzaldehyde
CID 145484483
2-(4-fluorophenyl)propane-1,2-diamine
CID 116855534
1-(2,2-dimethylpent-4-enyl)-4-fluorobenzene
CID 54122402
2-(4-fluorophenyl)-1-N,1-N-bis(prop-2-enyl)pent-4-ene-1,2-diamine
CID 43830488
2-(4-fluorophenyl)propan-2-amine
CID 13025665
(3R)-3-amino-3-(4-fluorophenyl)butanenitrile
CID 131059334
diethyl 2-(4-fluorophenyl)-2-prop-2-enylpropanedioate
CID 103973170
1-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 114833903
2-(4-fluorophenyl)-1-(4-methylphenyl)propan-2-amine
CID 60799223
(1R)-1-(4-fluorophenyl)-1-iodoethanamine
CID 67127925
(1S)-1-(4-fluorophenyl)-1-iodoethanamine
CID 67127984

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)pent-4-en-2-amine?
The IUPAC name of 2-(4-fluorophenyl)pent-4-en-2-amine (CID 130060488) is 2-(4-fluorophenyl)pent-4-en-2-amine.
What is the SMILES notation for 2-(4-fluorophenyl)pent-4-en-2-amine?
The canonical SMILES for 2-(4-fluorophenyl)pent-4-en-2-amine is C=CCC(C)(N)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)pent-4-en-2-amine?
The InChIKey is PQPPYKOHOSPUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-3-8-11(2,13)9-4-6-10(12)7-5-9/h3-7H,1,8,13H2,2H3.
What are the key properties of 2-(4-fluorophenyl)pent-4-en-2-amine?
2-(4-fluorophenyl)pent-4-en-2-amine has a molecular weight of 179.24 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)pent-4-en-2-amine is sourced from PubChem (CID 130060488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).