2-(2-bromo-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine

C15H21BrFNO — CID 116761603

IUPAC2-(2-bromo-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
SMILESCCOC1(C(N)Cc2ccc(F)cc2Br)CCCC1
InChIInChI=1S/C15H21BrFNO/c1-2-19-15(7-3-4-8-15)14(18)9-11-5-6-12(17)10-13(11)16/h5-6,10,14H,2-4,7-9,18H2,1H3
InChIKeyTUGQXFFXVRPTGO-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.81
Rot. Bonds5

About 2-(2-bromo-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine

2-(2-bromo-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine (PubChem CID 116761603) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
PubChem CID116761603
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
SMILESCCOC1(C(N)Cc2ccc(F)cc2Br)CCCC1
InChIInChI=1S/C15H21BrFNO/c1-2-19-15(7-3-4-8-15)14(18)9-11-5-6-12(17)10-13(11)16/h5-6,10,14H,2-4,7-9,18H2,1H3
InChIKeyTUGQXFFXVRPTGO-UHFFFAOYSA-N
XLogP3.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-bromo-4-fluorophenyl)-1-(1-ethoxycyclohexyl)ethyl]hydrazine
CID 105276277
1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanamine
CID 116761667
2-(4-bromo-2-chlorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
CID 116761557
2-(2-bromo-5-fluorophenyl)-1-(1-methoxycyclohexyl)ethanamine
CID 116762549
2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanamine
CID 116763561
1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348409
2-(2-chloro-4-fluorophenyl)-1-(1-methoxycyclobutyl)ethanamine
CID 116714000
2-(2-bromo-4-fluorophenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
CID 116762866
3-(2-bromo-4-fluorophenyl)-1,1-diethoxypropan-2-amine
CID 79496447
2-(2-chloro-4-methylphenyl)-1-(1-ethoxycycloheptyl)ethanamine
CID 106868865
1-[1-amino-2-(2-bromo-4-fluorophenyl)ethyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79062191
2-(3-chloro-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
CID 103040524

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine (CID 116761603) is 2-(2-bromo-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine is CCOC1(C(N)Cc2ccc(F)cc2Br)CCCC1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine?
The InChIKey is TUGQXFFXVRPTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-2-19-15(7-3-4-8-15)14(18)9-11-5-6-12(17)10-13(11)16/h5-6,10,14H,2-4,7-9,18H2,1H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine?
2-(2-bromo-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine has a molecular weight of 330.24 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine is sourced from PubChem (CID 116761603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).