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

C16H24BrNO2 — CID 116762679

IUPAC2-(5-bromo-2-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine
SMILESCOc1ccc(Br)cc1CC(N)C1(OC)CCCCC1
InChIInChI=1S/C16H24BrNO2/c1-19-14-7-6-13(17)10-12(14)11-15(18)16(20-2)8-4-3-5-9-16/h6-7,10,15H,3-5,8-9,11,18H2,1-2H3
InChIKeyWFHRPPFPUBGILE-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.68
Rot. Bonds5

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

2-(5-bromo-2-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine (PubChem CID 116762679) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine
PubChem CID116762679
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name2-(5-bromo-2-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine
SMILESCOc1ccc(Br)cc1CC(N)C1(OC)CCCCC1
InChIInChI=1S/C16H24BrNO2/c1-19-14-7-6-13(17)10-12(14)11-15(18)16(20-2)8-4-3-5-9-16/h6-7,10,15H,3-5,8-9,11,18H2,1-2H3
InChIKeyWFHRPPFPUBGILE-UHFFFAOYSA-N
XLogP3.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-5-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine
CID 116762517
2-(2-bromo-5-fluorophenyl)-1-(1-methoxycyclohexyl)ethanamine
CID 116762549
1-(5-bromo-2-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 103559107
2-(2-fluoro-3-methoxyphenyl)-1-(1-methoxycyclopentyl)ethanamine
CID 104794288
2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79061363
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
2-(5-bromo-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)ethanamine
CID 107188007
1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817615
2-(2-chlorophenyl)-1-(1-methoxycycloheptyl)ethanamine
CID 116769828
1-(6-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115816983
2-(4-bromo-2-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764303
1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817280

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine (CID 116762679) is 2-(5-bromo-2-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine is COc1ccc(Br)cc1CC(N)C1(OC)CCCCC1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine?
The InChIKey is WFHRPPFPUBGILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-19-14-7-6-13(17)10-12(14)11-15(18)16(20-2)8-4-3-5-9-16/h6-7,10,15H,3-5,8-9,11,18H2,1-2H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine?
2-(5-bromo-2-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine has a molecular weight of 342.28 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine is sourced from PubChem (CID 116762679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).