3-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]phenol

C15H15NO — CID 56639570

IUPAC3-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]phenol
SMILESN[C@H]1C[C@@H]1c1ccc(-c2cccc(O)c2)cc1
InChIInChI=1S/C15H15NO/c16-15-9-14(15)11-6-4-10(5-7-11)12-2-1-3-13(17)8-12/h1-8,14-15,17H,9,16H2/t14-,15+/m1/s1
InChIKeyDSOJSZXQRJGBCW-CABCVRRESA-N
MW225.29 g/mol
LogP2.87
Rot. Bonds2

About 3-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]phenol

3-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]phenol (PubChem CID 56639570) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]phenol.

Molecular Properties

Compound Name3-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]phenol
PubChem CID56639570
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name3-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]phenol
SMILESN[C@H]1C[C@@H]1c1ccc(-c2cccc(O)c2)cc1
InChIInChI=1S/C15H15NO/c16-15-9-14(15)11-6-4-10(5-7-11)12-2-1-3-13(17)8-12/h1-8,14-15,17H,9,16H2/t14-,15+/m1/s1
InChIKeyDSOJSZXQRJGBCW-CABCVRRESA-N
XLogP2.87
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]phenol?
The IUPAC name of 3-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]phenol (CID 56639570) is 3-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]phenol.
What is the SMILES notation for 3-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]phenol?
The canonical SMILES for 3-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]phenol is N[C@H]1C[C@@H]1c1ccc(-c2cccc(O)c2)cc1.
What is the InChIKey of 3-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]phenol?
The InChIKey is DSOJSZXQRJGBCW-CABCVRRESA-N. The full InChI is InChI=1S/C15H15NO/c16-15-9-14(15)11-6-4-10(5-7-11)12-2-1-3-13(17)8-12/h1-8,14-15,17H,9,16H2/t14-,15+/m1/s1.
What are the key properties of 3-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]phenol?
3-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]phenol has a molecular weight of 225.29 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]phenol is sourced from PubChem (CID 56639570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).