(1R)-1-[2-(azocan-1-yl)phenyl]ethanamine

C15H24N2 — CID 28801549

IUPAC(1R)-1-[2-(azocan-1-yl)phenyl]ethanamine
SMILESC[C@@H](N)c1ccccc1N1CCCCCCC1
InChIInChI=1S/C15H24N2/c1-13(16)14-9-5-6-10-15(14)17-11-7-3-2-4-8-12-17/h5-6,9-10,13H,2-4,7-8,11-12,16H2,1H3/t13-/m1/s1
InChIKeyUMZUNQLHRKMTKF-CYBMUJFWSA-N
MW232.37 g/mol
LogP3.48
Rot. Bonds2

About (1R)-1-[2-(azocan-1-yl)phenyl]ethanamine

(1R)-1-[2-(azocan-1-yl)phenyl]ethanamine (PubChem CID 28801549) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (1R)-1-[2-(azocan-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(azocan-1-yl)phenyl]ethanamine
PubChem CID28801549
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(1R)-1-[2-(azocan-1-yl)phenyl]ethanamine
SMILESC[C@@H](N)c1ccccc1N1CCCCCCC1
InChIInChI=1S/C15H24N2/c1-13(16)14-9-5-6-10-15(14)17-11-7-3-2-4-8-12-17/h5-6,9-10,13H,2-4,7-8,11-12,16H2,1H3/t13-/m1/s1
InChIKeyUMZUNQLHRKMTKF-CYBMUJFWSA-N
XLogP3.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(azocan-1-yl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[2-(azocan-1-yl)phenyl]ethanamine (CID 28801549) is (1R)-1-[2-(azocan-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(azocan-1-yl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-(azocan-1-yl)phenyl]ethanamine is C[C@@H](N)c1ccccc1N1CCCCCCC1.
What is the InChIKey of (1R)-1-[2-(azocan-1-yl)phenyl]ethanamine?
The InChIKey is UMZUNQLHRKMTKF-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N2/c1-13(16)14-9-5-6-10-15(14)17-11-7-3-2-4-8-12-17/h5-6,9-10,13H,2-4,7-8,11-12,16H2,1H3/t13-/m1/s1.
What are the key properties of (1R)-1-[2-(azocan-1-yl)phenyl]ethanamine?
(1R)-1-[2-(azocan-1-yl)phenyl]ethanamine has a molecular weight of 232.37 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(azocan-1-yl)phenyl]ethanamine is sourced from PubChem (CID 28801549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).