[(1S,2R,5R)-2-amino-5-phenylcyclohexyl]methanol

C13H19NO — CID 50989531

IUPAC[(1S,2R,5R)-2-amino-5-phenylcyclohexyl]methanol
SMILESN[C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1CO
InChIInChI=1S/C13H19NO/c14-13-7-6-11(8-12(13)9-15)10-4-2-1-3-5-10/h1-5,11-13,15H,6-9,14H2/t11-,12-,13-/m1/s1
InChIKeyLUMAPUYZQIKJQG-JHJVBQTASA-N
MW205.30 g/mol
LogP1.89
Rot. Bonds2

About [(1S,2R,5R)-2-amino-5-phenylcyclohexyl]methanol

[(1S,2R,5R)-2-amino-5-phenylcyclohexyl]methanol (PubChem CID 50989531) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is [(1S,2R,5R)-2-amino-5-phenylcyclohexyl]methanol.

Molecular Properties

Compound Name[(1S,2R,5R)-2-amino-5-phenylcyclohexyl]methanol
PubChem CID50989531
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name[(1S,2R,5R)-2-amino-5-phenylcyclohexyl]methanol
SMILESN[C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1CO
InChIInChI=1S/C13H19NO/c14-13-7-6-11(8-12(13)9-15)10-4-2-1-3-5-10/h1-5,11-13,15H,6-9,14H2/t11-,12-,13-/m1/s1
InChIKeyLUMAPUYZQIKJQG-JHJVBQTASA-N
XLogP1.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R,5R)-2-amino-5-phenylcyclohexyl]methanol?
The IUPAC name of [(1S,2R,5R)-2-amino-5-phenylcyclohexyl]methanol (CID 50989531) is [(1S,2R,5R)-2-amino-5-phenylcyclohexyl]methanol.
What is the SMILES notation for [(1S,2R,5R)-2-amino-5-phenylcyclohexyl]methanol?
The canonical SMILES for [(1S,2R,5R)-2-amino-5-phenylcyclohexyl]methanol is N[C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1CO.
What is the InChIKey of [(1S,2R,5R)-2-amino-5-phenylcyclohexyl]methanol?
The InChIKey is LUMAPUYZQIKJQG-JHJVBQTASA-N. The full InChI is InChI=1S/C13H19NO/c14-13-7-6-11(8-12(13)9-15)10-4-2-1-3-5-10/h1-5,11-13,15H,6-9,14H2/t11-,12-,13-/m1/s1.
What are the key properties of [(1S,2R,5R)-2-amino-5-phenylcyclohexyl]methanol?
[(1S,2R,5R)-2-amino-5-phenylcyclohexyl]methanol has a molecular weight of 205.30 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,5R)-2-amino-5-phenylcyclohexyl]methanol is sourced from PubChem (CID 50989531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).