2-(2-bicyclo[2.2.1]heptanyl)-1-(2-bromo-5-methoxyphenyl)-N-ethylethanamine

C18H26BrNO — CID 105167818

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(2-bromo-5-methoxyphenyl)-N-ethylethanamine
SMILESCCNC(CC1CC2CCC1C2)c1cc(OC)ccc1Br
InChIInChI=1S/C18H26BrNO/c1-3-20-18(10-14-9-12-4-5-13(14)8-12)16-11-15(21-2)6-7-17(16)19/h6-7,11-14,18,20H,3-5,8-10H2,1-2H3
InChIKeyBHKUWEGZJFEGGU-UHFFFAOYSA-N
MW352.32 g/mol
LogP4.93
Rot. Bonds6

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-bromo-5-methoxyphenyl)-N-ethylethanamine

2-(2-bicyclo[2.2.1]heptanyl)-1-(2-bromo-5-methoxyphenyl)-N-ethylethanamine (PubChem CID 105167818) has the molecular formula C18H26BrNO and a molecular weight of 352.32 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-bromo-5-methoxyphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(2-bromo-5-methoxyphenyl)-N-ethylethanamine
PubChem CID105167818
Molecular FormulaC18H26BrNO
Molecular Weight352.32 g/mol
Exact Mass351.12
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(2-bromo-5-methoxyphenyl)-N-ethylethanamine
SMILESCCNC(CC1CC2CCC1C2)c1cc(OC)ccc1Br
InChIInChI=1S/C18H26BrNO/c1-3-20-18(10-14-9-12-4-5-13(14)8-12)16-11-15(21-2)6-7-17(16)19/h6-7,11-14,18,20H,3-5,8-10H2,1-2H3
InChIKeyBHKUWEGZJFEGGU-UHFFFAOYSA-N
XLogP4.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-ethylethanamine
CID 105138866
1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 105138597
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-bromo-5-methylphenyl)-N-methylethanamine
CID 105012696
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine
CID 103302763
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-3,5-dimethylphenyl)-N-ethylethanamine
CID 114330715
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine
CID 105012810
2-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylethanamine
CID 103394668
2-[2-bromo-2-(4-methoxy-2-methylphenyl)ethyl]bicyclo[2.2.1]heptane
CID 55198185
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4-dimethoxyphenyl)ethanol
CID 61087143
2-[2-bromo-2-(2-fluoro-4-methoxyphenyl)ethyl]bicyclo[2.2.1]heptane
CID 63443197
1-(2-bromo-5-methoxyphenyl)-2-ethoxy-N-ethylethanamine
CID 105164999
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine
CID 105012929

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-bromo-5-methoxyphenyl)-N-ethylethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-bromo-5-methoxyphenyl)-N-ethylethanamine (CID 105167818) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-bromo-5-methoxyphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-bromo-5-methoxyphenyl)-N-ethylethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-bromo-5-methoxyphenyl)-N-ethylethanamine is CCNC(CC1CC2CCC1C2)c1cc(OC)ccc1Br.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-bromo-5-methoxyphenyl)-N-ethylethanamine?
The InChIKey is BHKUWEGZJFEGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrNO/c1-3-20-18(10-14-9-12-4-5-13(14)8-12)16-11-15(21-2)6-7-17(16)19/h6-7,11-14,18,20H,3-5,8-10H2,1-2H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-bromo-5-methoxyphenyl)-N-ethylethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-bromo-5-methoxyphenyl)-N-ethylethanamine has a molecular weight of 352.32 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-bromo-5-methoxyphenyl)-N-ethylethanamine is sourced from PubChem (CID 105167818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).