2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-8-yl)ethanamine

C19H24N2 — CID 59042142

IUPAC2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-8-yl)ethanamine
SMILESNCCN1C2CCC1CC(c1ccc3ccccc3c1)C2
InChIInChI=1S/C19H24N2/c20-9-10-21-18-7-8-19(21)13-17(12-18)16-6-5-14-3-1-2-4-15(14)11-16/h1-6,11,17-19H,7-10,12-13,20H2
InChIKeyPZVJAPHTYCQNSH-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.51
Rot. Bonds3

About 2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-8-yl)ethanamine

2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-8-yl)ethanamine (PubChem CID 59042142) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-8-yl)ethanamine.

Molecular Properties

Compound Name2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-8-yl)ethanamine
PubChem CID59042142
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-8-yl)ethanamine
SMILESNCCN1C2CCC1CC(c1ccc3ccccc3c1)C2
InChIInChI=1S/C19H24N2/c20-9-10-21-18-7-8-19(21)13-17(12-18)16-6-5-14-3-1-2-4-15(14)11-16/h1-6,11,17-19H,7-10,12-13,20H2
InChIKeyPZVJAPHTYCQNSH-UHFFFAOYSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-8-yl)ethanamine?
The IUPAC name of 2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-8-yl)ethanamine (CID 59042142) is 2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-8-yl)ethanamine.
What is the SMILES notation for 2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-8-yl)ethanamine?
The canonical SMILES for 2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-8-yl)ethanamine is NCCN1C2CCC1CC(c1ccc3ccccc3c1)C2.
What is the InChIKey of 2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-8-yl)ethanamine?
The InChIKey is PZVJAPHTYCQNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c20-9-10-21-18-7-8-19(21)13-17(12-18)16-6-5-14-3-1-2-4-15(14)11-16/h1-6,11,17-19H,7-10,12-13,20H2.
What are the key properties of 2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-8-yl)ethanamine?
2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-8-yl)ethanamine has a molecular weight of 280.42 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-8-yl)ethanamine is sourced from PubChem (CID 59042142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).