(1S)-1-(3-bromo-5-fluorophenyl)pent-4-en-1-amine;hydrochloride

C11H14BrClFN — CID 171223529

IUPAC(1S)-1-(3-bromo-5-fluorophenyl)pent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@H](N)c1cc(F)cc(Br)c1.Cl
InChIInChI=1S/C11H13BrFN.ClH/c1-2-3-4-11(14)8-5-9(12)7-10(13)6-8;/h2,5-7,11H,1,3-4,14H2;1H/t11-;/m0./s1
InChIKeyYYNVNDNSSUIAEU-MERQFXBCSA-N
MW294.60 g/mol
LogP3.98
Rot. Bonds4

About (1S)-1-(3-bromo-5-fluorophenyl)pent-4-en-1-amine;hydrochloride

(1S)-1-(3-bromo-5-fluorophenyl)pent-4-en-1-amine;hydrochloride (PubChem CID 171223529) has the molecular formula C11H14BrClFN and a molecular weight of 294.60 g/mol. Its IUPAC name is (1S)-1-(3-bromo-5-fluorophenyl)pent-4-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(3-bromo-5-fluorophenyl)pent-4-en-1-amine;hydrochloride
PubChem CID171223529
Molecular FormulaC11H14BrClFN
Molecular Weight294.60 g/mol
Exact Mass293.00
IUPAC Name(1S)-1-(3-bromo-5-fluorophenyl)pent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@H](N)c1cc(F)cc(Br)c1.Cl
InChIInChI=1S/C11H13BrFN.ClH/c1-2-3-4-11(14)8-5-9(12)7-10(13)6-8;/h2,5-7,11H,1,3-4,14H2;1H/t11-;/m0./s1
InChIKeyYYNVNDNSSUIAEU-MERQFXBCSA-N
XLogP3.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.60
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S)-1-(3-bromo-5-fluorophenyl)pent-4-en-1-amine;hydrochloride 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

(1S)-1-(3-bromo-5-fluorophenyl)but-3-en-1-amine
CID 131051848
(1S)-1-(3-bromo-5-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171223503
(1S)-1-(3-bromo-5-fluorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171223533
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]pent-4-en-1-amine
CID 171207433
(1R)-1-(3,4,5-trifluorophenyl)pent-4-en-1-amine;hydrochloride
CID 171205839
1-(3-bromo-5-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 66423671
(1R)-1-(3,4-dibromophenyl)pent-4-en-1-amine;hydrochloride
CID 171215459
1-(3-bromo-5-fluorophenyl)octan-1-amine
CID 66423474
(2R)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol
CID 66514747
1-(3-bromo-4-fluorophenyl)pent-4-en-1-amine
CID 82808779
2-[(1R)-1-aminopent-4-enyl]-6-bromo-4-fluorophenol;hydrochloride
CID 171257033
(3R)-3-amino-3-(3-bromo-5-fluorophenyl)propanenitrile;hydrochloride
CID 171260409

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-bromo-5-fluorophenyl)pent-4-en-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(3-bromo-5-fluorophenyl)pent-4-en-1-amine;hydrochloride (CID 171223529) is (1S)-1-(3-bromo-5-fluorophenyl)pent-4-en-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(3-bromo-5-fluorophenyl)pent-4-en-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(3-bromo-5-fluorophenyl)pent-4-en-1-amine;hydrochloride is C=CCC[C@H](N)c1cc(F)cc(Br)c1.Cl.
What is the InChIKey of (1S)-1-(3-bromo-5-fluorophenyl)pent-4-en-1-amine;hydrochloride?
The InChIKey is YYNVNDNSSUIAEU-MERQFXBCSA-N. The full InChI is InChI=1S/C11H13BrFN.ClH/c1-2-3-4-11(14)8-5-9(12)7-10(13)6-8;/h2,5-7,11H,1,3-4,14H2;1H/t11-;/m0./s1.
What are the key properties of (1S)-1-(3-bromo-5-fluorophenyl)pent-4-en-1-amine;hydrochloride?
(1S)-1-(3-bromo-5-fluorophenyl)pent-4-en-1-amine;hydrochloride has a molecular weight of 294.60 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-bromo-5-fluorophenyl)pent-4-en-1-amine;hydrochloride is sourced from PubChem (CID 171223529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).