1-azabicyclo[2.2.2]octan-2-yl(phenyl)methanamine

C14H20N2 — CID 69149406

IUPAC1-azabicyclo[2.2.2]octan-2-yl(phenyl)methanamine
SMILESNC(c1ccccc1)C1CC2CCN1CC2
InChIInChI=1S/C14H20N2/c15-14(12-4-2-1-3-5-12)13-10-11-6-8-16(13)9-7-11/h1-5,11,13-14H,6-10,15H2
InChIKeySUGHZWDHFIEBCB-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.17
Rot. Bonds2

About 1-azabicyclo[2.2.2]octan-2-yl(phenyl)methanamine

1-azabicyclo[2.2.2]octan-2-yl(phenyl)methanamine (PubChem CID 69149406) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-azabicyclo[2.2.2]octan-2-yl(phenyl)methanamine.

Molecular Properties

Compound Name1-azabicyclo[2.2.2]octan-2-yl(phenyl)methanamine
PubChem CID69149406
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1-azabicyclo[2.2.2]octan-2-yl(phenyl)methanamine
SMILESNC(c1ccccc1)C1CC2CCN1CC2
InChIInChI=1S/C14H20N2/c15-14(12-4-2-1-3-5-12)13-10-11-6-8-16(13)9-7-11/h1-5,11,13-14H,6-10,15H2
InChIKeySUGHZWDHFIEBCB-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.2]octan-2-yl(phenyl)methanamine?
The IUPAC name of 1-azabicyclo[2.2.2]octan-2-yl(phenyl)methanamine (CID 69149406) is 1-azabicyclo[2.2.2]octan-2-yl(phenyl)methanamine.
What is the SMILES notation for 1-azabicyclo[2.2.2]octan-2-yl(phenyl)methanamine?
The canonical SMILES for 1-azabicyclo[2.2.2]octan-2-yl(phenyl)methanamine is NC(c1ccccc1)C1CC2CCN1CC2.
What is the InChIKey of 1-azabicyclo[2.2.2]octan-2-yl(phenyl)methanamine?
The InChIKey is SUGHZWDHFIEBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c15-14(12-4-2-1-3-5-12)13-10-11-6-8-16(13)9-7-11/h1-5,11,13-14H,6-10,15H2.
What are the key properties of 1-azabicyclo[2.2.2]octan-2-yl(phenyl)methanamine?
1-azabicyclo[2.2.2]octan-2-yl(phenyl)methanamine has a molecular weight of 216.33 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.2]octan-2-yl(phenyl)methanamine is sourced from PubChem (CID 69149406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).