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

C16H24BrNO2 — CID 116762517

IUPAC2-(2-bromo-5-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine
SMILESCOc1ccc(Br)c(CC(N)C2(OC)CCCCC2)c1
InChIInChI=1S/C16H24BrNO2/c1-19-13-6-7-14(17)12(10-13)11-15(18)16(20-2)8-4-3-5-9-16/h6-7,10,15H,3-5,8-9,11,18H2,1-2H3
InChIKeyPRASJTMCDVNOAG-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.68
Rot. Bonds5

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

2-(2-bromo-5-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine (PubChem CID 116762517) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine
PubChem CID116762517
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine
SMILESCOc1ccc(Br)c(CC(N)C2(OC)CCCCC2)c1
InChIInChI=1S/C16H24BrNO2/c1-19-13-6-7-14(17)12(10-13)11-15(18)16(20-2)8-4-3-5-9-16/h6-7,10,15H,3-5,8-9,11,18H2,1-2H3
InChIKeyPRASJTMCDVNOAG-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-fluorophenyl)-1-(1-methoxycyclohexyl)ethanamine
CID 116762549
2-(2-bromo-5-methoxyphenyl)-1-(1-ethoxycyclopentyl)ethanol
CID 116753002
2-(5-bromo-2-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine
CID 116762679
2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)ethanamine
CID 106268473
2-(2-bromo-5-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 115862299
2-(2-chlorophenyl)-1-(1-methoxycycloheptyl)ethanamine
CID 116769828
2-(2-fluoro-3-methoxyphenyl)-1-(1-methoxycyclopentyl)ethanamine
CID 104794288
1-(2-bromo-5-methoxyphenyl)pentan-2-amine
CID 65325502
1-(1-aminocyclohexyl)-2-(2-bromo-5-methoxyphenyl)ethanone
CID 116550607
1-(2-bromo-5-methoxyphenyl)-4-cyclopentylbutan-2-amine
CID 115862330
3-(2-bromo-5-methoxyphenyl)-1,1-diethoxypropan-2-amine
CID 79495380
1-(6-bicyclo[3.1.0]hexanyl)-2-(2-bromo-5-methoxyphenyl)ethanamine
CID 115862194

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine (CID 116762517) is 2-(2-bromo-5-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine is COc1ccc(Br)c(CC(N)C2(OC)CCCCC2)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine?
The InChIKey is PRASJTMCDVNOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-19-13-6-7-14(17)12(10-13)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-(2-bromo-5-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine?
2-(2-bromo-5-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-(2-bromo-5-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine is sourced from PubChem (CID 116762517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).