(1R,3S)-3-phenoxy-2,3-dihydro-1H-inden-1-amine

C15H15NO — CID 44560576

IUPAC(1R,3S)-3-phenoxy-2,3-dihydro-1H-inden-1-amine
SMILESN[C@@H]1C[C@H](Oc2ccccc2)c2ccccc21
InChIInChI=1S/C15H15NO/c16-14-10-15(13-9-5-4-8-12(13)14)17-11-6-2-1-3-7-11/h1-9,14-15H,10,16H2/t14-,15+/m1/s1
InChIKeyAFPFOKAYUJMERG-CABCVRRESA-N
MW225.29 g/mol
LogP3.21
Rot. Bonds2

About (1R,3S)-3-phenoxy-2,3-dihydro-1H-inden-1-amine

(1R,3S)-3-phenoxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 44560576) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is (1R,3S)-3-phenoxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R,3S)-3-phenoxy-2,3-dihydro-1H-inden-1-amine
PubChem CID44560576
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name(1R,3S)-3-phenoxy-2,3-dihydro-1H-inden-1-amine
SMILESN[C@@H]1C[C@H](Oc2ccccc2)c2ccccc21
InChIInChI=1S/C15H15NO/c16-14-10-15(13-9-5-4-8-12(13)14)17-11-6-2-1-3-7-11/h1-9,14-15H,10,16H2/t14-,15+/m1/s1
InChIKeyAFPFOKAYUJMERG-CABCVRRESA-N
XLogP3.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,3S)-3-phenoxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R,3S)-3-phenoxy-2,3-dihydro-1H-inden-1-amine (CID 44560576) is (1R,3S)-3-phenoxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R,3S)-3-phenoxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R,3S)-3-phenoxy-2,3-dihydro-1H-inden-1-amine is N[C@@H]1C[C@H](Oc2ccccc2)c2ccccc21.
What is the InChIKey of (1R,3S)-3-phenoxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is AFPFOKAYUJMERG-CABCVRRESA-N. The full InChI is InChI=1S/C15H15NO/c16-14-10-15(13-9-5-4-8-12(13)14)17-11-6-2-1-3-7-11/h1-9,14-15H,10,16H2/t14-,15+/m1/s1.
What are the key properties of (1R,3S)-3-phenoxy-2,3-dihydro-1H-inden-1-amine?
(1R,3S)-3-phenoxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 225.29 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-3-phenoxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 44560576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).