2-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]ethanamine

C16H22BrNO — CID 79563052

IUPAC2-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]ethanamine
SMILESNCCc1ccc(OCC2CC3CCC2C3)c(Br)c1
InChIInChI=1S/C16H22BrNO/c17-15-9-11(5-6-18)2-4-16(15)19-10-14-8-12-1-3-13(14)7-12/h2,4,9,12-14H,1,3,5-8,10,18H2
InChIKeyRSGPUBULMFHZOV-UHFFFAOYSA-N
MW324.26 g/mol
LogP3.77
Rot. Bonds5

About 2-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]ethanamine

2-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]ethanamine (PubChem CID 79563052) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is 2-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]ethanamine
PubChem CID79563052
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name2-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]ethanamine
SMILESNCCc1ccc(OCC2CC3CCC2C3)c(Br)c1
InChIInChI=1S/C16H22BrNO/c17-15-9-11(5-6-18)2-4-16(15)19-10-14-8-12-1-3-13(14)7-12/h2,4,9,12-14H,1,3,5-8,10,18H2
InChIKeyRSGPUBULMFHZOV-UHFFFAOYSA-N
XLogP3.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]ethanamine with MolForge

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Related Compounds

1-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]butan-2-amine
CID 79562862
3-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]prop-2-enoic acid
CID 79563441
2-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]bicyclo[2.2.1]heptane
CID 102714629
[2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methanamine
CID 79554484
4-(2-bicyclo[2.2.1]heptanylmethoxy)-2,5-dimethylaniline
CID 79554738
4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-chlorobenzonitrile
CID 79552038
1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-bromo-4-methoxyphenyl)methyl]methanamine
CID 63681912
[3-bromo-4-(cyclobutylmethoxy)phenyl]methanamine
CID 65457318
[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3,5-difluorophenyl]methanol
CID 79887957
[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methylphenyl]methanol
CID 79552519
1-(2-bicyclo[2.2.1]heptanyl)-3-(3-bromo-4-methoxyphenyl)propan-2-ol
CID 115779476
[3-bromo-4-(cyclohexylmethoxy)phenyl]methanamine
CID 63046526

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]ethanamine?
The IUPAC name of 2-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]ethanamine (CID 79563052) is 2-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]ethanamine.
What is the SMILES notation for 2-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]ethanamine?
The canonical SMILES for 2-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]ethanamine is NCCc1ccc(OCC2CC3CCC2C3)c(Br)c1.
What is the InChIKey of 2-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]ethanamine?
The InChIKey is RSGPUBULMFHZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c17-15-9-11(5-6-18)2-4-16(15)19-10-14-8-12-1-3-13(14)7-12/h2,4,9,12-14H,1,3,5-8,10,18H2.
What are the key properties of 2-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]ethanamine?
2-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]ethanamine has a molecular weight of 324.26 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]ethanamine is sourced from PubChem (CID 79563052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).