1-(2-bromo-4-fluorophenyl)-N,3-diethylpentan-2-amine

C15H23BrFN — CID 115843078

IUPAC1-(2-bromo-4-fluorophenyl)-N,3-diethylpentan-2-amine
SMILESCCNC(Cc1ccc(F)cc1Br)C(CC)CC
InChIInChI=1S/C15H23BrFN/c1-4-11(5-2)15(18-6-3)9-12-7-8-13(17)10-14(12)16/h7-8,10-11,15,18H,4-6,9H2,1-3H3
InChIKeyWOXYOQIOUOGATI-UHFFFAOYSA-N
MW316.26 g/mol
LogP4.55
Rot. Bonds7

About 1-(2-bromo-4-fluorophenyl)-N,3-diethylpentan-2-amine

1-(2-bromo-4-fluorophenyl)-N,3-diethylpentan-2-amine (PubChem CID 115843078) has the molecular formula C15H23BrFN and a molecular weight of 316.26 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-N,3-diethylpentan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-N,3-diethylpentan-2-amine
PubChem CID115843078
Molecular FormulaC15H23BrFN
Molecular Weight316.26 g/mol
Exact Mass315.10
IUPAC Name1-(2-bromo-4-fluorophenyl)-N,3-diethylpentan-2-amine
SMILESCCNC(Cc1ccc(F)cc1Br)C(CC)CC
InChIInChI=1S/C15H23BrFN/c1-4-11(5-2)15(18-6-3)9-12-7-8-13(17)10-14(12)16/h7-8,10-11,15,18H,4-6,9H2,1-3H3
InChIKeyWOXYOQIOUOGATI-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(2-bromo-4-fluorophenyl)-3-ethylpentan-2-yl]hydrazine
CID 105296590
1-(2-bromo-4-fluorophenyl)-N-ethyl-3-methylbutan-2-amine
CID 62600953
[1-(2-bromo-4-fluorophenyl)-3-ethylheptan-2-yl]hydrazine
CID 105296661
2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 115843155
[1-(2-bromo-4-fluorophenyl)-3-methoxypentan-2-yl]hydrazine
CID 105270647
2-(2-bromo-4-fluorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 63673611
1-(2-bromo-4-fluorophenyl)-N-propylbutan-2-amine
CID 62601157
N-ethyl-1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine
CID 105051215
2-(2-bromo-4-fluorophenyl)-1-cyclobutyl-N-ethylethanamine
CID 64986283
2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 115843076
2-(2-bromo-4-fluorophenyl)-1-(4-chlorophenyl)-N-ethylethanamine
CID 63414075
[1-(2-bromo-4-fluorophenyl)-4-ethoxybutan-2-yl]hydrazine
CID 105296727

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-N,3-diethylpentan-2-amine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-N,3-diethylpentan-2-amine (CID 115843078) is 1-(2-bromo-4-fluorophenyl)-N,3-diethylpentan-2-amine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-N,3-diethylpentan-2-amine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-N,3-diethylpentan-2-amine is CCNC(Cc1ccc(F)cc1Br)C(CC)CC.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-N,3-diethylpentan-2-amine?
The InChIKey is WOXYOQIOUOGATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFN/c1-4-11(5-2)15(18-6-3)9-12-7-8-13(17)10-14(12)16/h7-8,10-11,15,18H,4-6,9H2,1-3H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-N,3-diethylpentan-2-amine?
1-(2-bromo-4-fluorophenyl)-N,3-diethylpentan-2-amine has a molecular weight of 316.26 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-N,3-diethylpentan-2-amine is sourced from PubChem (CID 115843078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).