[(2R,3S)-3-(2-chlorophenyl)-2-bicyclo[2.2.2]octanyl]methanamine

C15H20ClN — CID 70430746

IUPAC[(2R,3S)-3-(2-chlorophenyl)-2-bicyclo[2.2.2]octanyl]methanamine
SMILESNC[C@@H]1C2CCC(CC2)[C@@H]1c1ccccc1Cl
InChIInChI=1S/C15H20ClN/c16-14-4-2-1-3-12(14)15-11-7-5-10(6-8-11)13(15)9-17/h1-4,10-11,13,15H,5-9,17H2/t10?,11?,13-,15-/m1/s1
InChIKeyHPMMIJWMPLFSKI-VFDCVBMRSA-N
MW249.78 g/mol
LogP3.82
Rot. Bonds2

About [(2R,3S)-3-(2-chlorophenyl)-2-bicyclo[2.2.2]octanyl]methanamine

[(2R,3S)-3-(2-chlorophenyl)-2-bicyclo[2.2.2]octanyl]methanamine (PubChem CID 70430746) has the molecular formula C15H20ClN and a molecular weight of 249.78 g/mol. Its IUPAC name is [(2R,3S)-3-(2-chlorophenyl)-2-bicyclo[2.2.2]octanyl]methanamine.

Molecular Properties

Compound Name[(2R,3S)-3-(2-chlorophenyl)-2-bicyclo[2.2.2]octanyl]methanamine
PubChem CID70430746
Molecular FormulaC15H20ClN
Molecular Weight249.78 g/mol
Exact Mass249.13
IUPAC Name[(2R,3S)-3-(2-chlorophenyl)-2-bicyclo[2.2.2]octanyl]methanamine
SMILESNC[C@@H]1C2CCC(CC2)[C@@H]1c1ccccc1Cl
InChIInChI=1S/C15H20ClN/c16-14-4-2-1-3-12(14)15-11-7-5-10(6-8-11)13(15)9-17/h1-4,10-11,13,15H,5-9,17H2/t10?,11?,13-,15-/m1/s1
InChIKeyHPMMIJWMPLFSKI-VFDCVBMRSA-N
XLogP3.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.78
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-(2-chlorophenyl)-2-bicyclo[2.2.2]octanyl]methanamine?
The IUPAC name of [(2R,3S)-3-(2-chlorophenyl)-2-bicyclo[2.2.2]octanyl]methanamine (CID 70430746) is [(2R,3S)-3-(2-chlorophenyl)-2-bicyclo[2.2.2]octanyl]methanamine.
What is the SMILES notation for [(2R,3S)-3-(2-chlorophenyl)-2-bicyclo[2.2.2]octanyl]methanamine?
The canonical SMILES for [(2R,3S)-3-(2-chlorophenyl)-2-bicyclo[2.2.2]octanyl]methanamine is NC[C@@H]1C2CCC(CC2)[C@@H]1c1ccccc1Cl.
What is the InChIKey of [(2R,3S)-3-(2-chlorophenyl)-2-bicyclo[2.2.2]octanyl]methanamine?
The InChIKey is HPMMIJWMPLFSKI-VFDCVBMRSA-N. The full InChI is InChI=1S/C15H20ClN/c16-14-4-2-1-3-12(14)15-11-7-5-10(6-8-11)13(15)9-17/h1-4,10-11,13,15H,5-9,17H2/t10?,11?,13-,15-/m1/s1.
What are the key properties of [(2R,3S)-3-(2-chlorophenyl)-2-bicyclo[2.2.2]octanyl]methanamine?
[(2R,3S)-3-(2-chlorophenyl)-2-bicyclo[2.2.2]octanyl]methanamine has a molecular weight of 249.78 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-(2-chlorophenyl)-2-bicyclo[2.2.2]octanyl]methanamine is sourced from PubChem (CID 70430746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).