5-(2-bromo-5-fluorophenyl)-N-propylpent-3-en-1-amine

C14H19BrFN — CID 79591063

IUPAC5-(2-bromo-5-fluorophenyl)-N-propylpent-3-en-1-amine
SMILESCCCNCCC=CCc1cc(F)ccc1Br
InChIInChI=1S/C14H19BrFN/c1-2-9-17-10-5-3-4-6-12-11-13(16)7-8-14(12)15/h3-4,7-8,11,17H,2,5-6,9-10H2,1H3
InChIKeyGSLYHBWETXNXQM-UHFFFAOYSA-N
MW300.21 g/mol
LogP4.08
Rot. Bonds7

About 5-(2-bromo-5-fluorophenyl)-N-propylpent-3-en-1-amine

5-(2-bromo-5-fluorophenyl)-N-propylpent-3-en-1-amine (PubChem CID 79591063) has the molecular formula C14H19BrFN and a molecular weight of 300.21 g/mol. Its IUPAC name is 5-(2-bromo-5-fluorophenyl)-N-propylpent-3-en-1-amine.

Molecular Properties

Compound Name5-(2-bromo-5-fluorophenyl)-N-propylpent-3-en-1-amine
PubChem CID79591063
Molecular FormulaC14H19BrFN
Molecular Weight300.21 g/mol
Exact Mass299.07
IUPAC Name5-(2-bromo-5-fluorophenyl)-N-propylpent-3-en-1-amine
SMILESCCCNCCC=CCc1cc(F)ccc1Br
InChIInChI=1S/C14H19BrFN/c1-2-9-17-10-5-3-4-6-12-11-13(16)7-8-14(12)15/h3-4,7-8,11,17H,2,5-6,9-10H2,1H3
InChIKeyGSLYHBWETXNXQM-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(2-bromo-5-fluorophenyl)-N-propylpent-3-en-1-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

5-(2-bromo-5-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 79598413
(E)-5-(2-chloro-5-fluorophenyl)-N-propylpent-3-en-1-amine
CID 102621727
5-(3-bromo-4-fluorophenyl)-N-propylpent-3-en-1-amine
CID 79593419
5-(2-bromo-4-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 79598285
(E)-N-[(2-bromo-5-fluorophenyl)methyl]pent-3-en-1-amine
CID 115777551
(E)-5-(2,6-difluorophenyl)-N-propylpent-3-en-1-amine
CID 114935075
5-(2,5-difluorophenyl)-N-methylpent-3-en-1-amine
CID 79593591
N-[[4-[(2-bromo-5-fluorophenyl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62904854
5-(4-bromothiophen-2-yl)-N-propylpent-3-en-1-amine
CID 79592758
N-[(2-bromo-5-fluorophenyl)methyl]octan-1-amine
CID 55191408
3-[(2-bromo-5-fluorophenyl)methyl]-N-propylpentan-2-amine
CID 63400302
(E)-5-(2,3-dichlorophenyl)-N-propylpent-3-en-1-amine
CID 107310959

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-5-fluorophenyl)-N-propylpent-3-en-1-amine?
The IUPAC name of 5-(2-bromo-5-fluorophenyl)-N-propylpent-3-en-1-amine (CID 79591063) is 5-(2-bromo-5-fluorophenyl)-N-propylpent-3-en-1-amine.
What is the SMILES notation for 5-(2-bromo-5-fluorophenyl)-N-propylpent-3-en-1-amine?
The canonical SMILES for 5-(2-bromo-5-fluorophenyl)-N-propylpent-3-en-1-amine is CCCNCCC=CCc1cc(F)ccc1Br.
What is the InChIKey of 5-(2-bromo-5-fluorophenyl)-N-propylpent-3-en-1-amine?
The InChIKey is GSLYHBWETXNXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c1-2-9-17-10-5-3-4-6-12-11-13(16)7-8-14(12)15/h3-4,7-8,11,17H,2,5-6,9-10H2,1H3.
What are the key properties of 5-(2-bromo-5-fluorophenyl)-N-propylpent-3-en-1-amine?
5-(2-bromo-5-fluorophenyl)-N-propylpent-3-en-1-amine has a molecular weight of 300.21 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-5-fluorophenyl)-N-propylpent-3-en-1-amine is sourced from PubChem (CID 79591063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).