(1S)-1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]ethanamine

C14H20N2 — CID 63368592

IUPAC(1S)-1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]ethanamine
SMILESC[C@H](N)c1ccccc1N1CC2CCC1C2
InChIInChI=1S/C14H20N2/c1-10(15)13-4-2-3-5-14(13)16-9-11-6-7-12(16)8-11/h2-5,10-12H,6-9,15H2,1H3/t10-,11?,12?/m0/s1
InChIKeyKVWCFOBJLOLRHL-UNXYVOJBSA-N
MW216.33 g/mol
LogP2.69
Rot. Bonds2

About (1S)-1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]ethanamine

(1S)-1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]ethanamine (PubChem CID 63368592) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (1S)-1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]ethanamine
PubChem CID63368592
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name(1S)-1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]ethanamine
SMILESC[C@H](N)c1ccccc1N1CC2CCC1C2
InChIInChI=1S/C14H20N2/c1-10(15)13-4-2-3-5-14(13)16-9-11-6-7-12(16)8-11/h2-5,10-12H,6-9,15H2,1H3/t10-,11?,12?/m0/s1
InChIKeyKVWCFOBJLOLRHL-UNXYVOJBSA-N
XLogP2.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]ethanamine?
The IUPAC name of (1S)-1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]ethanamine (CID 63368592) is (1S)-1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]ethanamine is C[C@H](N)c1ccccc1N1CC2CCC1C2.
What is the InChIKey of (1S)-1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]ethanamine?
The InChIKey is KVWCFOBJLOLRHL-UNXYVOJBSA-N. The full InChI is InChI=1S/C14H20N2/c1-10(15)13-4-2-3-5-14(13)16-9-11-6-7-12(16)8-11/h2-5,10-12H,6-9,15H2,1H3/t10-,11?,12?/m0/s1.
What are the key properties of (1S)-1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]ethanamine?
(1S)-1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]ethanamine has a molecular weight of 216.33 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]ethanamine is sourced from PubChem (CID 63368592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).