5-(3-bromo-4-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine

C14H19BrFNO — CID 79597915

IUPAC5-(3-bromo-4-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
SMILESCOCCNCCC=CCc1ccc(F)c(Br)c1
InChIInChI=1S/C14H19BrFNO/c1-18-10-9-17-8-4-2-3-5-12-6-7-14(16)13(15)11-12/h2-3,6-7,11,17H,4-5,8-10H2,1H3
InChIKeyPZNGAGKWMCZQGC-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.31
Rot. Bonds8

About 5-(3-bromo-4-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine

5-(3-bromo-4-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine (PubChem CID 79597915) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is 5-(3-bromo-4-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine.

Molecular Properties

Compound Name5-(3-bromo-4-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
PubChem CID79597915
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name5-(3-bromo-4-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
SMILESCOCCNCCC=CCc1ccc(F)c(Br)c1
InChIInChI=1S/C14H19BrFNO/c1-18-10-9-17-8-4-2-3-5-12-6-7-14(16)13(15)11-12/h2-3,6-7,11,17H,4-5,8-10H2,1H3
InChIKeyPZNGAGKWMCZQGC-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(3-bromo-4-fluorophenyl)-N-propylpent-3-en-1-amine
CID 79593419
5-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 79599332
(E)-5-(4-chloro-3-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 114013102
N'-[(3-bromo-4-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine
CID 107951104
5-(2-bromo-4-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 79598285
5-(2-bromo-5-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 79598413
1-(3-bromo-4-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 66036830
N-[[1-[(3-bromo-4-fluorophenyl)methyl]pyrrol-3-yl]methyl]-2-methoxyethanamine
CID 66405427
(E)-5-(3-chloro-2-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 102864136
N-(2-methoxyethyl)-5-thiophen-2-ylpent-3-en-1-amine
CID 79599821
N-[(3-bromo-4-fluorophenyl)methyl]-2-but-3-enoxyethanamine
CID 103854477
N-(3-bromo-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide
CID 115738296

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine?
The IUPAC name of 5-(3-bromo-4-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine (CID 79597915) is 5-(3-bromo-4-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine.
What is the SMILES notation for 5-(3-bromo-4-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine?
The canonical SMILES for 5-(3-bromo-4-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine is COCCNCCC=CCc1ccc(F)c(Br)c1.
What is the InChIKey of 5-(3-bromo-4-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine?
The InChIKey is PZNGAGKWMCZQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c1-18-10-9-17-8-4-2-3-5-12-6-7-14(16)13(15)11-12/h2-3,6-7,11,17H,4-5,8-10H2,1H3.
What are the key properties of 5-(3-bromo-4-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine?
5-(3-bromo-4-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine has a molecular weight of 316.21 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine is sourced from PubChem (CID 79597915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).