2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanamine

C16H23BrFNO — CID 116763561

IUPAC2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanamine
SMILESCCOC1(C(N)Cc2cc(F)cc(Br)c2)CCCCC1
InChIInChI=1S/C16H23BrFNO/c1-2-20-16(6-4-3-5-7-16)15(19)10-12-8-13(17)11-14(18)9-12/h8-9,11,15H,2-7,10,19H2,1H3
InChIKeyZIBLDRHCYUTZLX-UHFFFAOYSA-N
MW344.27 g/mol
LogP4.20
Rot. Bonds5

About 2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanamine

2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanamine (PubChem CID 116763561) has the molecular formula C16H23BrFNO and a molecular weight of 344.27 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanamine
PubChem CID116763561
Molecular FormulaC16H23BrFNO
Molecular Weight344.27 g/mol
Exact Mass343.09
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanamine
SMILESCCOC1(C(N)Cc2cc(F)cc(Br)c2)CCCCC1
InChIInChI=1S/C16H23BrFNO/c1-2-20-16(6-4-3-5-7-16)15(19)10-12-8-13(17)11-14(18)9-12/h8-9,11,15H,2-7,10,19H2,1H3
InChIKeyZIBLDRHCYUTZLX-UHFFFAOYSA-N
XLogP4.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanamine
CID 116761667
2-(2-bromo-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
CID 116761603
2-(3-bromo-5-fluorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770078
[2-(3,5-difluorophenyl)-1-(1-ethoxycyclohexyl)ethyl]hydrazine
CID 105413025
2-(3-chloro-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
CID 103040524
2-(4-bromo-2-chlorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
CID 116761557
2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanone
CID 116747912
1-(1-ethoxycycloheptyl)-2-(furan-3-yl)ethanamine
CID 116770604
2-(2-chloro-4-methylphenyl)-1-(1-ethoxycycloheptyl)ethanamine
CID 106868865
1-[(3-bromo-5-fluorophenyl)methyl]cyclohexan-1-amine
CID 79701490
1-[(3-bromo-5-fluorophenyl)methyl]cycloheptan-1-amine
CID 79701350
2-(5-bromo-3-pyridinyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116768183

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanamine (CID 116763561) is 2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanamine is CCOC1(C(N)Cc2cc(F)cc(Br)c2)CCCCC1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanamine?
The InChIKey is ZIBLDRHCYUTZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFNO/c1-2-20-16(6-4-3-5-7-16)15(19)10-12-8-13(17)11-14(18)9-12/h8-9,11,15H,2-7,10,19H2,1H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanamine?
2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanamine has a molecular weight of 344.27 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanamine is sourced from PubChem (CID 116763561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).