2-(2-bromo-5-fluorophenyl)-1-(1-methoxycyclohexyl)ethanamine

C15H21BrFNO — CID 116762549

IUPAC2-(2-bromo-5-fluorophenyl)-1-(1-methoxycyclohexyl)ethanamine
SMILESCOC1(C(N)Cc2cc(F)ccc2Br)CCCCC1
InChIInChI=1S/C15H21BrFNO/c1-19-15(7-3-2-4-8-15)14(18)10-11-9-12(17)5-6-13(11)16/h5-6,9,14H,2-4,7-8,10,18H2,1H3
InChIKeyPKOGEJIFUPIORH-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.81
Rot. Bonds4

About 2-(2-bromo-5-fluorophenyl)-1-(1-methoxycyclohexyl)ethanamine

2-(2-bromo-5-fluorophenyl)-1-(1-methoxycyclohexyl)ethanamine (PubChem CID 116762549) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1-(1-methoxycyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1-(1-methoxycyclohexyl)ethanamine
PubChem CID116762549
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC Name2-(2-bromo-5-fluorophenyl)-1-(1-methoxycyclohexyl)ethanamine
SMILESCOC1(C(N)Cc2cc(F)ccc2Br)CCCCC1
InChIInChI=1S/C15H21BrFNO/c1-19-15(7-3-2-4-8-15)14(18)10-11-9-12(17)5-6-13(11)16/h5-6,9,14H,2-4,7-8,10,18H2,1H3
InChIKeyPKOGEJIFUPIORH-UHFFFAOYSA-N
XLogP3.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-5-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine
CID 116762517
2-(2-bromo-5-fluorophenyl)-1-(1-methylcyclopentyl)ethanamine
CID 115843507
2-(2-fluoro-3-methoxyphenyl)-1-(1-methoxycyclopentyl)ethanamine
CID 104794288
2-(2-chloro-4-fluorophenyl)-1-(1-methoxycyclobutyl)ethanamine
CID 116714000
2-(5-bromo-2-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine
CID 116762679
2-(2-bromo-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
CID 116761603
2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)ethanamine
CID 106268473
2-(2-bromo-4-fluorophenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
CID 116762866
2-(2,4-difluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764410
2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 105374421
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
2-(2-chlorophenyl)-1-(1-methoxycycloheptyl)ethanamine
CID 116769828

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(1-methoxycyclohexyl)ethanamine?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(1-methoxycyclohexyl)ethanamine (CID 116762549) is 2-(2-bromo-5-fluorophenyl)-1-(1-methoxycyclohexyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1-(1-methoxycyclohexyl)ethanamine?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1-(1-methoxycyclohexyl)ethanamine is COC1(C(N)Cc2cc(F)ccc2Br)CCCCC1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1-(1-methoxycyclohexyl)ethanamine?
The InChIKey is PKOGEJIFUPIORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-19-15(7-3-2-4-8-15)14(18)10-11-9-12(17)5-6-13(11)16/h5-6,9,14H,2-4,7-8,10,18H2,1H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1-(1-methoxycyclohexyl)ethanamine?
2-(2-bromo-5-fluorophenyl)-1-(1-methoxycyclohexyl)ethanamine has a molecular weight of 330.24 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-1-(1-methoxycyclohexyl)ethanamine is sourced from PubChem (CID 116762549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).