4-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3,5-dimethylphenol

C15H23NO2 — CID 171266603

IUPAC4-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3,5-dimethylphenol
SMILESCc1cc(O)cc(C)c1[C@H](N)[C@H](O)C1CCCC1
InChIInChI=1S/C15H23NO2/c1-9-7-12(17)8-10(2)13(9)14(16)15(18)11-5-3-4-6-11/h7-8,11,14-15,17-18H,3-6,16H2,1-2H3/t14-,15+/m0/s1
InChIKeyLJVNYZPDIVZNIH-LSDHHAIUSA-N
MW249.35 g/mol
LogP2.56
Rot. Bonds3

About 4-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3,5-dimethylphenol

4-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3,5-dimethylphenol (PubChem CID 171266603) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3,5-dimethylphenol.

Molecular Properties

Compound Name4-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3,5-dimethylphenol
PubChem CID171266603
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3,5-dimethylphenol
SMILESCc1cc(O)cc(C)c1[C@H](N)[C@H](O)C1CCCC1
InChIInChI=1S/C15H23NO2/c1-9-7-12(17)8-10(2)13(9)14(16)15(18)11-5-3-4-6-11/h7-8,11,14-15,17-18H,3-6,16H2,1-2H3/t14-,15+/m0/s1
InChIKeyLJVNYZPDIVZNIH-LSDHHAIUSA-N
XLogP2.56
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-2-amino-1-cyclopentyl-2-(2,4,6-trimethylphenyl)ethanol
CID 171268340
2-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]benzene-1,3,5-triol
CID 171272047
4-[(R)-amino(cyclohexyl)methyl]-3,5-dimethylphenol;hydrochloride
CID 171198721
(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethylphenyl)ethanol;hydrochloride
CID 171267921
(1R,2S)-2-amino-1-cyclopentyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol
CID 171270673
4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2,6-dimethylphenol;hydrochloride
CID 171262445
4-[(1S)-1-amino-2,2-difluoroethyl]-3,5-dimethylphenol
CID 130682561
(1S,2R)-2-amino-1-cyclopentyl-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride
CID 171264100
(1R,2S)-2-amino-1-cyclobutyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol;hydrochloride
CID 171270672
(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride
CID 171269778
4-[(1S,2R)-2-amino-1-hydroxypropyl]-3,5-dimethylphenol
CID 131076622
3-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-2,4,6-tribromophenol
CID 171266180

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3,5-dimethylphenol?
The IUPAC name of 4-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3,5-dimethylphenol (CID 171266603) is 4-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3,5-dimethylphenol.
What is the SMILES notation for 4-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3,5-dimethylphenol?
The canonical SMILES for 4-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3,5-dimethylphenol is Cc1cc(O)cc(C)c1[C@H](N)[C@H](O)C1CCCC1.
What is the InChIKey of 4-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3,5-dimethylphenol?
The InChIKey is LJVNYZPDIVZNIH-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H23NO2/c1-9-7-12(17)8-10(2)13(9)14(16)15(18)11-5-3-4-6-11/h7-8,11,14-15,17-18H,3-6,16H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of 4-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3,5-dimethylphenol?
4-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3,5-dimethylphenol has a molecular weight of 249.35 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3,5-dimethylphenol is sourced from PubChem (CID 171266603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).