1-(5-bromo-2-fluorophenyl)-N,3-diethylheptan-1-amine

C17H27BrFN — CID 114894944

IUPAC1-(5-bromo-2-fluorophenyl)-N,3-diethylheptan-1-amine
SMILESCCCCC(CC)CC(NCC)c1cc(Br)ccc1F
InChIInChI=1S/C17H27BrFN/c1-4-7-8-13(5-2)11-17(20-6-3)15-12-14(18)9-10-16(15)19/h9-10,12-13,17,20H,4-8,11H2,1-3H3
InChIKeyHOPZMBSKIVHIKI-UHFFFAOYSA-N
MW344.31 g/mol
LogP5.85
Rot. Bonds9

About 1-(5-bromo-2-fluorophenyl)-N,3-diethylheptan-1-amine

1-(5-bromo-2-fluorophenyl)-N,3-diethylheptan-1-amine (PubChem CID 114894944) has the molecular formula C17H27BrFN and a molecular weight of 344.31 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N,3-diethylheptan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N,3-diethylheptan-1-amine
PubChem CID114894944
Molecular FormulaC17H27BrFN
Molecular Weight344.31 g/mol
Exact Mass343.13
IUPAC Name1-(5-bromo-2-fluorophenyl)-N,3-diethylheptan-1-amine
SMILESCCCCC(CC)CC(NCC)c1cc(Br)ccc1F
InChIInChI=1S/C17H27BrFN/c1-4-7-8-13(5-2)11-17(20-6-3)15-12-14(18)9-10-16(15)19/h9-10,12-13,17,20H,4-8,11H2,1-3H3
InChIKeyHOPZMBSKIVHIKI-UHFFFAOYSA-N
XLogP5.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.31
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(5-bromo-2-fluorophenyl)-N,3-diethylheptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromo-4-fluorophenyl)-N,3-diethylheptan-1-amine
CID 115806017
1-(5-bromo-2-fluorophenyl)-N-ethylpent-4-yn-1-amine
CID 114894905
[1-(4-bromo-2-fluorophenyl)-3-ethylheptyl]hydrazine
CID 105280875
1-(5-bromo-2-fluorophenyl)-3-ethyl-N-methylpentan-1-amine
CID 114894764
[1-(5-bromo-2-fluorophenyl)-3-ethylpentyl]hydrazine
CID 105280759
N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)heptan-1-amine
CID 81301494
1-(2,6-difluorophenyl)-N,3-diethylheptan-1-amine
CID 79522095
1-(5-bromo-2-fluorophenyl)-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 114894962
1-(5-bromo-2-fluorophenyl)-N-ethylbut-3-en-1-amine
CID 116660748
1-(2-bromo-5-methoxyphenyl)-N,3-diethylheptan-1-amine
CID 105102758
1-(5-chloro-2-fluorophenyl)-N-ethylpentan-1-amine
CID 114886331
1-(5-bromo-2-fluorophenyl)-N-ethyl-4-methoxypentan-1-amine
CID 105167364

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N,3-diethylheptan-1-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N,3-diethylheptan-1-amine (CID 114894944) is 1-(5-bromo-2-fluorophenyl)-N,3-diethylheptan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N,3-diethylheptan-1-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N,3-diethylheptan-1-amine is CCCCC(CC)CC(NCC)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N,3-diethylheptan-1-amine?
The InChIKey is HOPZMBSKIVHIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrFN/c1-4-7-8-13(5-2)11-17(20-6-3)15-12-14(18)9-10-16(15)19/h9-10,12-13,17,20H,4-8,11H2,1-3H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N,3-diethylheptan-1-amine?
1-(5-bromo-2-fluorophenyl)-N,3-diethylheptan-1-amine has a molecular weight of 344.31 g/mol, XLogP of 5.85, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-N,3-diethylheptan-1-amine is sourced from PubChem (CID 114894944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).