1-(2-bromo-3-fluorophenyl)-N-ethylpent-4-en-2-amine

C13H17BrFN — CID 116660745

IUPAC1-(2-bromo-3-fluorophenyl)-N-ethylpent-4-en-2-amine
SMILESC=CCC(Cc1cccc(F)c1Br)NCC
InChIInChI=1S/C13H17BrFN/c1-3-6-11(16-4-2)9-10-7-5-8-12(15)13(10)14/h3,5,7-8,11,16H,1,4,6,9H2,2H3
InChIKeySBDPHZFCJKNRPT-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.68
Rot. Bonds6

About 1-(2-bromo-3-fluorophenyl)-N-ethylpent-4-en-2-amine

1-(2-bromo-3-fluorophenyl)-N-ethylpent-4-en-2-amine (PubChem CID 116660745) has the molecular formula C13H17BrFN and a molecular weight of 286.19 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-N-ethylpent-4-en-2-amine.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-N-ethylpent-4-en-2-amine
PubChem CID116660745
Molecular FormulaC13H17BrFN
Molecular Weight286.19 g/mol
Exact Mass285.05
IUPAC Name1-(2-bromo-3-fluorophenyl)-N-ethylpent-4-en-2-amine
SMILESC=CCC(Cc1cccc(F)c1Br)NCC
InChIInChI=1S/C13H17BrFN/c1-3-6-11(16-4-2)9-10-7-5-8-12(15)13(10)14/h3,5,7-8,11,16H,1,4,6,9H2,2H3
InChIKeySBDPHZFCJKNRPT-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-3-fluorophenyl)-N-methylpent-4-en-2-amine
CID 116660523
1-(2-bromo-3-fluorophenyl)-3-cyclopentyl-N-ethylpropan-2-amine
CID 105020430
1-(2-bromo-3-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 105020439
1-(2-bromo-3-fluorophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105172034
1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103169265
1-(2-bromo-3-fluorophenyl)-N-ethyl-3,3-dimethylpentan-2-amine
CID 105020510
1-(2,6-dimethylphenyl)-N-ethylpent-4-en-2-amine
CID 116660854
2-(2-bromo-3-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105172073
2-(2-bromo-3-fluorophenyl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine
CID 106692784
N-ethyl-1-(2-fluorophenyl)sulfanylpent-4-en-2-amine
CID 66051551
1-(2-bromo-3-fluorophenyl)-4-methylsulfanyl-N-propylbutan-2-amine
CID 105172057
1-(2-bromo-3-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
CID 116720241

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-N-ethylpent-4-en-2-amine?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-N-ethylpent-4-en-2-amine (CID 116660745) is 1-(2-bromo-3-fluorophenyl)-N-ethylpent-4-en-2-amine.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-N-ethylpent-4-en-2-amine?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-N-ethylpent-4-en-2-amine is C=CCC(Cc1cccc(F)c1Br)NCC.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-N-ethylpent-4-en-2-amine?
The InChIKey is SBDPHZFCJKNRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN/c1-3-6-11(16-4-2)9-10-7-5-8-12(15)13(10)14/h3,5,7-8,11,16H,1,4,6,9H2,2H3.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-N-ethylpent-4-en-2-amine?
1-(2-bromo-3-fluorophenyl)-N-ethylpent-4-en-2-amine has a molecular weight of 286.19 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluorophenyl)-N-ethylpent-4-en-2-amine is sourced from PubChem (CID 116660745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).