1-(4-bromo-2-fluorophenyl)-4-methyl-N-propylpent-4-en-1-amine

C15H21BrFN — CID 114906796

IUPAC1-(4-bromo-2-fluorophenyl)-4-methyl-N-propylpent-4-en-1-amine
SMILESC=C(C)CCC(NCCC)c1ccc(Br)cc1F
InChIInChI=1S/C15H21BrFN/c1-4-9-18-15(8-5-11(2)3)13-7-6-12(16)10-14(13)17/h6-7,10,15,18H,2,4-5,8-9H2,1,3H3
InChIKeyYSDRZYTVTGKDDK-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.99
Rot. Bonds7

About 1-(4-bromo-2-fluorophenyl)-4-methyl-N-propylpent-4-en-1-amine

1-(4-bromo-2-fluorophenyl)-4-methyl-N-propylpent-4-en-1-amine (PubChem CID 114906796) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-4-methyl-N-propylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-4-methyl-N-propylpent-4-en-1-amine
PubChem CID114906796
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC Name1-(4-bromo-2-fluorophenyl)-4-methyl-N-propylpent-4-en-1-amine
SMILESC=C(C)CCC(NCCC)c1ccc(Br)cc1F
InChIInChI=1S/C15H21BrFN/c1-4-9-18-15(8-5-11(2)3)13-7-6-12(16)10-14(13)17/h6-7,10,15,18H,2,4-5,8-9H2,1,3H3
InChIKeyYSDRZYTVTGKDDK-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.99
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-(4-bromo-2-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039445
1-(4-bromo-2-fluorophenyl)-N-ethylbutan-1-amine
CID 114906558
1-(5-bromo-2-fluorophenyl)-N-propylbutan-1-amine
CID 79742839
N-[1-(4-bromo-2-fluorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 63526365
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methyl-N-propylbut-3-en-1-amine
CID 79177611
1-(2,5-dimethylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039435
1-(2,6-difluoro-3-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039592
1-(4-bromo-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 114906702
1-(2,5-dibromophenyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105003992
1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114474078
1-(3-fluoro-5-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114475635
1-(4-bromo-2-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024035

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-4-methyl-N-propylpent-4-en-1-amine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-4-methyl-N-propylpent-4-en-1-amine (CID 114906796) is 1-(4-bromo-2-fluorophenyl)-4-methyl-N-propylpent-4-en-1-amine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-4-methyl-N-propylpent-4-en-1-amine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-4-methyl-N-propylpent-4-en-1-amine is C=C(C)CCC(NCCC)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-4-methyl-N-propylpent-4-en-1-amine?
The InChIKey is YSDRZYTVTGKDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-4-9-18-15(8-5-11(2)3)13-7-6-12(16)10-14(13)17/h6-7,10,15,18H,2,4-5,8-9H2,1,3H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-4-methyl-N-propylpent-4-en-1-amine?
1-(4-bromo-2-fluorophenyl)-4-methyl-N-propylpent-4-en-1-amine has a molecular weight of 314.24 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-4-methyl-N-propylpent-4-en-1-amine is sourced from PubChem (CID 114906796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).