(1R)-2-(azetidin-1-yl)-1-phenylethanamine

C11H16N2 — CID 58948538

IUPAC(1R)-2-(azetidin-1-yl)-1-phenylethanamine
SMILESN[C@@H](CN1CCC1)c1ccccc1
InChIInChI=1S/C11H16N2/c12-11(9-13-7-4-8-13)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,12H2/t11-/m0/s1
InChIKeyGJSSMQFFTDCRHY-NSHDSACASA-N
MW176.26 g/mol
LogP1.39
Rot. Bonds3

About (1R)-2-(azetidin-1-yl)-1-phenylethanamine

(1R)-2-(azetidin-1-yl)-1-phenylethanamine (PubChem CID 58948538) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (1R)-2-(azetidin-1-yl)-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-2-(azetidin-1-yl)-1-phenylethanamine
PubChem CID58948538
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(1R)-2-(azetidin-1-yl)-1-phenylethanamine
SMILESN[C@@H](CN1CCC1)c1ccccc1
InChIInChI=1S/C11H16N2/c12-11(9-13-7-4-8-13)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,12H2/t11-/m0/s1
InChIKeyGJSSMQFFTDCRHY-NSHDSACASA-N
XLogP1.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-(azetidin-1-yl)-1-phenylethanamine?
The IUPAC name of (1R)-2-(azetidin-1-yl)-1-phenylethanamine (CID 58948538) is (1R)-2-(azetidin-1-yl)-1-phenylethanamine.
What is the SMILES notation for (1R)-2-(azetidin-1-yl)-1-phenylethanamine?
The canonical SMILES for (1R)-2-(azetidin-1-yl)-1-phenylethanamine is N[C@@H](CN1CCC1)c1ccccc1.
What is the InChIKey of (1R)-2-(azetidin-1-yl)-1-phenylethanamine?
The InChIKey is GJSSMQFFTDCRHY-NSHDSACASA-N. The full InChI is InChI=1S/C11H16N2/c12-11(9-13-7-4-8-13)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,12H2/t11-/m0/s1.
What are the key properties of (1R)-2-(azetidin-1-yl)-1-phenylethanamine?
(1R)-2-(azetidin-1-yl)-1-phenylethanamine has a molecular weight of 176.26 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(azetidin-1-yl)-1-phenylethanamine is sourced from PubChem (CID 58948538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).