5-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine

C14H19BrFN — CID 79599622

IUPAC5-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine
SMILESCCNCCC=C(C)Cc1ccc(Br)cc1F
InChIInChI=1S/C14H19BrFN/c1-3-17-8-4-5-11(2)9-12-6-7-13(15)10-14(12)16/h5-7,10,17H,3-4,8-9H2,1-2H3
InChIKeyJXJDACWYNAVBFC-UHFFFAOYSA-N
MW300.22 g/mol
LogP4.08
Rot. Bonds6

About 5-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine

5-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine (PubChem CID 79599622) has the molecular formula C14H19BrFN and a molecular weight of 300.22 g/mol. Its IUPAC name is 5-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine.

Molecular Properties

Compound Name5-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine
PubChem CID79599622
Molecular FormulaC14H19BrFN
Molecular Weight300.22 g/mol
Exact Mass299.07
IUPAC Name5-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine
SMILESCCNCCC=C(C)Cc1ccc(Br)cc1F
InChIInChI=1S/C14H19BrFN/c1-3-17-8-4-5-11(2)9-12-6-7-13(15)10-14(12)16/h5-7,10,17H,3-4,8-9H2,1-2H3
InChIKeyJXJDACWYNAVBFC-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
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'}

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Related Compounds

N-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane
CID 143672674
(Z)-5-(2-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine
CID 112654998
5-(2,5-dichlorophenyl)-N-ethyl-4-methylpent-3-en-1-amine
CID 79598459
N-[(4-bromo-2-fluorophenyl)methyl]-3-methylbut-2-en-1-amine
CID 103528017
N-ethyl-4-methyl-5-(2-methylphenyl)pent-3-en-1-amine
CID 79599356
4-(5-bromo-2-fluorophenyl)-N-ethylbut-3-en-1-amine
CID 79739424
1-(4-bromo-2-fluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 66040311
N-ethyl-4-methyl-5-(2,4,6-trimethylphenyl)pent-3-en-1-amine
CID 79599102
4-(4-bromo-2-fluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 81015367
3-(5-bromo-2-fluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79341621
2-(4-bromo-2-fluorophenyl)-N-methylacetamide
CID 71270704
2-[(4-bromo-2-fluorophenyl)methyl]-N-ethyl-3-methylbutan-1-amine
CID 55082719

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine?
The IUPAC name of 5-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine (CID 79599622) is 5-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine.
What is the SMILES notation for 5-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine?
The canonical SMILES for 5-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine is CCNCCC=C(C)Cc1ccc(Br)cc1F.
What is the InChIKey of 5-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine?
The InChIKey is JXJDACWYNAVBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c1-3-17-8-4-5-11(2)9-12-6-7-13(15)10-14(12)16/h5-7,10,17H,3-4,8-9H2,1-2H3.
What are the key properties of 5-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine?
5-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine has a molecular weight of 300.22 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine is sourced from PubChem (CID 79599622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).