8-(5-chloro-2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine

C14H19ClN2O — CID 55106709

IUPAC8-(5-chloro-2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCOc1ccc(Cl)cc1N1C2CCC1CC(N)C2
InChIInChI=1S/C14H19ClN2O/c1-18-14-5-2-9(15)6-13(14)17-11-3-4-12(17)8-10(16)7-11/h2,5-6,10-12H,3-4,7-8,16H2,1H3
InChIKeySLBCKBFRUNEXRP-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.81
Rot. Bonds2

About 8-(5-chloro-2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine

8-(5-chloro-2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 55106709) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 8-(5-chloro-2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(5-chloro-2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID55106709
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name8-(5-chloro-2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCOc1ccc(Cl)cc1N1C2CCC1CC(N)C2
InChIInChI=1S/C14H19ClN2O/c1-18-14-5-2-9(15)6-13(14)17-11-3-4-12(17)8-10(16)7-11/h2,5-6,10-12H,3-4,7-8,16H2,1H3
InChIKeySLBCKBFRUNEXRP-UHFFFAOYSA-N
XLogP2.81
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(5-chloro-2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(5-chloro-2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 55106709) is 8-(5-chloro-2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(5-chloro-2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(5-chloro-2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine is COc1ccc(Cl)cc1N1C2CCC1CC(N)C2.
What is the InChIKey of 8-(5-chloro-2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is SLBCKBFRUNEXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-18-14-5-2-9(15)6-13(14)17-11-3-4-12(17)8-10(16)7-11/h2,5-6,10-12H,3-4,7-8,16H2,1H3.
What are the key properties of 8-(5-chloro-2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(5-chloro-2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 266.77 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-chloro-2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 55106709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).