1-(3-bromo-4-fluorophenyl)-N,3-diethylpentan-1-amine

C15H23BrFN — CID 82922197

IUPAC1-(3-bromo-4-fluorophenyl)-N,3-diethylpentan-1-amine
SMILESCCNC(CC(CC)CC)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H23BrFN/c1-4-11(5-2)9-15(18-6-3)12-7-8-14(17)13(16)10-12/h7-8,10-11,15,18H,4-6,9H2,1-3H3
InChIKeyBURAJTKEQOKUSJ-UHFFFAOYSA-N
MW316.26 g/mol
LogP5.07
Rot. Bonds7

About 1-(3-bromo-4-fluorophenyl)-N,3-diethylpentan-1-amine

1-(3-bromo-4-fluorophenyl)-N,3-diethylpentan-1-amine (PubChem CID 82922197) has the molecular formula C15H23BrFN and a molecular weight of 316.26 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-N,3-diethylpentan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-N,3-diethylpentan-1-amine
PubChem CID82922197
Molecular FormulaC15H23BrFN
Molecular Weight316.26 g/mol
Exact Mass315.10
IUPAC Name1-(3-bromo-4-fluorophenyl)-N,3-diethylpentan-1-amine
SMILESCCNC(CC(CC)CC)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H23BrFN/c1-4-11(5-2)9-15(18-6-3)12-7-8-14(17)13(16)10-12/h7-8,10-11,15,18H,4-6,9H2,1-3H3
InChIKeyBURAJTKEQOKUSJ-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.26
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-fluorophenyl)-3-ethyl-N-methylpentan-1-amine
CID 82922196
1-(3-bromo-4-fluorophenyl)-N-ethylheptan-1-amine
CID 82810387
1-(3-bromo-4-fluorophenyl)-3-ethylpentan-1-amine
CID 82922100
1-(3-bromo-4-fluorophenyl)-N-ethyl-2-propoxyethanamine
CID 82810035
1-(3-bromo-4-fluorophenyl)-N-ethyl-3-methylsulfonylpropan-1-amine
CID 82810385
1-(2-bromo-5-chlorophenyl)-N,3-diethylpentan-1-amine
CID 114027172
N,3-diethyl-1-(3-methoxy-4-methylphenyl)pentan-1-amine
CID 105028177
1-(3-bromo-4-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 82809918
1-(3-bromo-4-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 79747608
N,3-diethyl-1-(4-propan-2-ylphenyl)pentan-1-amine
CID 82920734
1-(3-bromo-4-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 82809329
1-(3-bromo-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine
CID 79746697

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-N,3-diethylpentan-1-amine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-N,3-diethylpentan-1-amine (CID 82922197) is 1-(3-bromo-4-fluorophenyl)-N,3-diethylpentan-1-amine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-N,3-diethylpentan-1-amine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-N,3-diethylpentan-1-amine is CCNC(CC(CC)CC)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-N,3-diethylpentan-1-amine?
The InChIKey is BURAJTKEQOKUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFN/c1-4-11(5-2)9-15(18-6-3)12-7-8-14(17)13(16)10-12/h7-8,10-11,15,18H,4-6,9H2,1-3H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-N,3-diethylpentan-1-amine?
1-(3-bromo-4-fluorophenyl)-N,3-diethylpentan-1-amine has a molecular weight of 316.26 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-N,3-diethylpentan-1-amine is sourced from PubChem (CID 82922197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).