2-[2-(3-azabicyclo[3.1.1]heptan-3-ylmethyl)phenyl]ethanamine

C15H22N2 — CID 84793982

IUPAC2-[2-(3-azabicyclo[3.1.1]heptan-3-ylmethyl)phenyl]ethanamine
SMILESNCCc1ccccc1CN1CC2CC(C2)C1
InChIInChI=1S/C15H22N2/c16-6-5-14-3-1-2-4-15(14)11-17-9-12-7-13(8-12)10-17/h1-4,12-13H,5-11,16H2
InChIKeyMPRBXAVRSYYQOK-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.03
Rot. Bonds4

About 2-[2-(3-azabicyclo[3.1.1]heptan-3-ylmethyl)phenyl]ethanamine

2-[2-(3-azabicyclo[3.1.1]heptan-3-ylmethyl)phenyl]ethanamine (PubChem CID 84793982) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 2-[2-(3-azabicyclo[3.1.1]heptan-3-ylmethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(3-azabicyclo[3.1.1]heptan-3-ylmethyl)phenyl]ethanamine
PubChem CID84793982
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name2-[2-(3-azabicyclo[3.1.1]heptan-3-ylmethyl)phenyl]ethanamine
SMILESNCCc1ccccc1CN1CC2CC(C2)C1
InChIInChI=1S/C15H22N2/c16-6-5-14-3-1-2-4-15(14)11-17-9-12-7-13(8-12)10-17/h1-4,12-13H,5-11,16H2
InChIKeyMPRBXAVRSYYQOK-UHFFFAOYSA-N
XLogP2.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-azabicyclo[3.1.1]heptan-3-ylmethyl)phenyl]ethanamine?
The IUPAC name of 2-[2-(3-azabicyclo[3.1.1]heptan-3-ylmethyl)phenyl]ethanamine (CID 84793982) is 2-[2-(3-azabicyclo[3.1.1]heptan-3-ylmethyl)phenyl]ethanamine.
What is the SMILES notation for 2-[2-(3-azabicyclo[3.1.1]heptan-3-ylmethyl)phenyl]ethanamine?
The canonical SMILES for 2-[2-(3-azabicyclo[3.1.1]heptan-3-ylmethyl)phenyl]ethanamine is NCCc1ccccc1CN1CC2CC(C2)C1.
What is the InChIKey of 2-[2-(3-azabicyclo[3.1.1]heptan-3-ylmethyl)phenyl]ethanamine?
The InChIKey is MPRBXAVRSYYQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c16-6-5-14-3-1-2-4-15(14)11-17-9-12-7-13(8-12)10-17/h1-4,12-13H,5-11,16H2.
What are the key properties of 2-[2-(3-azabicyclo[3.1.1]heptan-3-ylmethyl)phenyl]ethanamine?
2-[2-(3-azabicyclo[3.1.1]heptan-3-ylmethyl)phenyl]ethanamine has a molecular weight of 230.36 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-azabicyclo[3.1.1]heptan-3-ylmethyl)phenyl]ethanamine is sourced from PubChem (CID 84793982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).