1-(5-bromo-2-fluorophenyl)-5-ethoxy-N-ethylpentan-2-amine

C15H23BrFNO — CID 105131796

IUPAC1-(5-bromo-2-fluorophenyl)-5-ethoxy-N-ethylpentan-2-amine
SMILESCCNC(CCCOCC)Cc1cc(Br)ccc1F
InChIInChI=1S/C15H23BrFNO/c1-3-18-14(6-5-9-19-4-2)11-12-10-13(16)7-8-15(12)17/h7-8,10,14,18H,3-6,9,11H2,1-2H3
InChIKeyLHJWGDXCFWXKQU-UHFFFAOYSA-N
MW332.26 g/mol
LogP3.93
Rot. Bonds9

About 1-(5-bromo-2-fluorophenyl)-5-ethoxy-N-ethylpentan-2-amine

1-(5-bromo-2-fluorophenyl)-5-ethoxy-N-ethylpentan-2-amine (PubChem CID 105131796) has the molecular formula C15H23BrFNO and a molecular weight of 332.26 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-5-ethoxy-N-ethylpentan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-5-ethoxy-N-ethylpentan-2-amine
PubChem CID105131796
Molecular FormulaC15H23BrFNO
Molecular Weight332.26 g/mol
Exact Mass331.09
IUPAC Name1-(5-bromo-2-fluorophenyl)-5-ethoxy-N-ethylpentan-2-amine
SMILESCCNC(CCCOCC)Cc1cc(Br)ccc1F
InChIInChI=1S/C15H23BrFNO/c1-3-18-14(6-5-9-19-4-2)11-12-10-13(16)7-8-15(12)17/h7-8,10,14,18H,3-6,9,11H2,1-2H3
InChIKeyLHJWGDXCFWXKQU-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dichlorophenyl)-5-ethoxy-N-ethylpentan-2-amine
CID 105132456
1-(5-bromo-2-fluorophenyl)-4-propoxy-N-propylbutan-2-amine
CID 105131969
1-(4-bromo-2-fluorophenyl)-N-ethylnonan-2-amine
CID 115844761
1-(5-bromo-2-fluorophenyl)-3-cycloheptyl-N-ethylpropan-2-amine
CID 115839556
N-[(5-bromo-2-fluorophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271161
2-(5-bromo-2-fluorophenyl)-1-cyclopropyl-N-ethylethanamine
CID 62600408
4-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylbutan-2-amine
CID 60995995
[1-(5-bromo-2-fluorophenyl)-5-chloropentan-2-yl]hydrazine
CID 105235622
N-[(5-bromo-2-fluorophenyl)methyl]-4-ethoxybutanamide
CID 112728062
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 62607697
1-(2,4-difluorophenyl)-N-ethyl-5-methoxypentan-2-amine
CID 64559477
1-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylsulfanylbutan-2-amine
CID 105137196

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-5-ethoxy-N-ethylpentan-2-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-5-ethoxy-N-ethylpentan-2-amine (CID 105131796) is 1-(5-bromo-2-fluorophenyl)-5-ethoxy-N-ethylpentan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-5-ethoxy-N-ethylpentan-2-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-5-ethoxy-N-ethylpentan-2-amine is CCNC(CCCOCC)Cc1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-5-ethoxy-N-ethylpentan-2-amine?
The InChIKey is LHJWGDXCFWXKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFNO/c1-3-18-14(6-5-9-19-4-2)11-12-10-13(16)7-8-15(12)17/h7-8,10,14,18H,3-6,9,11H2,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-5-ethoxy-N-ethylpentan-2-amine?
1-(5-bromo-2-fluorophenyl)-5-ethoxy-N-ethylpentan-2-amine has a molecular weight of 332.26 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-5-ethoxy-N-ethylpentan-2-amine is sourced from PubChem (CID 105131796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).