2-[3-(4-bromophenyl)-2-bicyclo[2.2.2]octanyl]propan-2-amine

C17H24BrN — CID 23622536

IUPAC2-[3-(4-bromophenyl)-2-bicyclo[2.2.2]octanyl]propan-2-amine
SMILESCC(C)(N)C1C2CCC(CC2)C1c1ccc(Br)cc1
InChIInChI=1S/C17H24BrN/c1-17(2,19)16-13-5-3-11(4-6-13)15(16)12-7-9-14(18)10-8-12/h7-11,13,15-16H,3-6,19H2,1-2H3
InChIKeyFAKRVSREPAEYEV-UHFFFAOYSA-N
MW322.29 g/mol
LogP4.71
Rot. Bonds2

About 2-[3-(4-bromophenyl)-2-bicyclo[2.2.2]octanyl]propan-2-amine

2-[3-(4-bromophenyl)-2-bicyclo[2.2.2]octanyl]propan-2-amine (PubChem CID 23622536) has the molecular formula C17H24BrN and a molecular weight of 322.29 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)-2-bicyclo[2.2.2]octanyl]propan-2-amine.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)-2-bicyclo[2.2.2]octanyl]propan-2-amine
PubChem CID23622536
Molecular FormulaC17H24BrN
Molecular Weight322.29 g/mol
Exact Mass321.11
IUPAC Name2-[3-(4-bromophenyl)-2-bicyclo[2.2.2]octanyl]propan-2-amine
SMILESCC(C)(N)C1C2CCC(CC2)C1c1ccc(Br)cc1
InChIInChI=1S/C17H24BrN/c1-17(2,19)16-13-5-3-11(4-6-13)15(16)12-7-9-14(18)10-8-12/h7-11,13,15-16H,3-6,19H2,1-2H3
InChIKeyFAKRVSREPAEYEV-UHFFFAOYSA-N
XLogP4.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(4-bromophenyl)-3,7-dimethylbicyclo[3.2.2]nonane
CID 156551061
1-bromo-4-(4-cyclohexylcyclohexyl)benzene
CID 57247187
(2R,3R)-3-(4-bromophenyl)-N-(diaminomethylidene)bicyclo[2.2.1]heptane-2-carboxamide
CID 54500226
1-bromo-4-(4-methylcyclohexyl)benzene
CID 21137228
1-bromo-4-cyclopropylbenzene;N-methylmethanamine;hydrochloride
CID 66919211
1-amino-2-(4-bromophenyl)propan-2-ol
CID 19424694
2-(4-bromophenyl)propan-2-amine;hydroiodide
CID 163210830
2-(4-bromophenyl)cyclopropan-1-amine
CID 21190524
(5R)-5-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 95035037
2-(4-bromophenyl)-1,3-thiazolidin-4-one
CID 102552104
(2S)-2-(4-bromophenyl)azetidine
CID 91980119
2-(4-bromophenyl)cyclobutan-1-ol
CID 126971923

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)-2-bicyclo[2.2.2]octanyl]propan-2-amine?
The IUPAC name of 2-[3-(4-bromophenyl)-2-bicyclo[2.2.2]octanyl]propan-2-amine (CID 23622536) is 2-[3-(4-bromophenyl)-2-bicyclo[2.2.2]octanyl]propan-2-amine.
What is the SMILES notation for 2-[3-(4-bromophenyl)-2-bicyclo[2.2.2]octanyl]propan-2-amine?
The canonical SMILES for 2-[3-(4-bromophenyl)-2-bicyclo[2.2.2]octanyl]propan-2-amine is CC(C)(N)C1C2CCC(CC2)C1c1ccc(Br)cc1.
What is the InChIKey of 2-[3-(4-bromophenyl)-2-bicyclo[2.2.2]octanyl]propan-2-amine?
The InChIKey is FAKRVSREPAEYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN/c1-17(2,19)16-13-5-3-11(4-6-13)15(16)12-7-9-14(18)10-8-12/h7-11,13,15-16H,3-6,19H2,1-2H3.
What are the key properties of 2-[3-(4-bromophenyl)-2-bicyclo[2.2.2]octanyl]propan-2-amine?
2-[3-(4-bromophenyl)-2-bicyclo[2.2.2]octanyl]propan-2-amine has a molecular weight of 322.29 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)-2-bicyclo[2.2.2]octanyl]propan-2-amine is sourced from PubChem (CID 23622536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).