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

C14H19BrFNO — CID 79598285

IUPAC5-(2-bromo-4-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
SMILESCOCCNCCC=CCc1ccc(F)cc1Br
InChIInChI=1S/C14H19BrFNO/c1-18-10-9-17-8-4-2-3-5-12-6-7-13(16)11-14(12)15/h2-3,6-7,11,17H,4-5,8-10H2,1H3
InChIKeyLKNHMENZAWFJJW-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.31
Rot. Bonds8

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

5-(2-bromo-4-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine (PubChem CID 79598285) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is 5-(2-bromo-4-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine.

Molecular Properties

Compound Name5-(2-bromo-4-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
PubChem CID79598285
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name5-(2-bromo-4-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
SMILESCOCCNCCC=CCc1ccc(F)cc1Br
InChIInChI=1S/C14H19BrFNO/c1-18-10-9-17-8-4-2-3-5-12-6-7-13(16)11-14(12)15/h2-3,6-7,11,17H,4-5,8-10H2,1H3
InChIKeyLKNHMENZAWFJJW-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-(2-bromo-5-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 79598413
4-(2-bromo-4-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 64503065
5-(3-bromo-4-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 79597915
5-(2-bromo-5-fluorophenyl)-N-propylpent-3-en-1-amine
CID 79591063
1-(2-bromo-4-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 116591470
5-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 79599332
(E)-5-(3-chloro-2-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 102864136
(E)-5-(4-chloro-3-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 114013102
(E)-5-(2-chloro-5-fluorophenyl)-N-propylpent-3-en-1-amine
CID 102621727
2-bromo-4-fluoro-1-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 104564389
(Z)-4-(5-fluoro-2-methoxyphenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 82782510
N'-[(2,4-dibromophenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 107938729

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine?
The IUPAC name of 5-(2-bromo-4-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine (CID 79598285) is 5-(2-bromo-4-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine.
What is the SMILES notation for 5-(2-bromo-4-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine?
The canonical SMILES for 5-(2-bromo-4-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine is COCCNCCC=CCc1ccc(F)cc1Br.
What is the InChIKey of 5-(2-bromo-4-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine?
The InChIKey is LKNHMENZAWFJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c1-18-10-9-17-8-4-2-3-5-12-6-7-13(16)11-14(12)15/h2-3,6-7,11,17H,4-5,8-10H2,1H3.
What are the key properties of 5-(2-bromo-4-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine?
5-(2-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-(2-bromo-4-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine is sourced from PubChem (CID 79598285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).