2-[(1R)-1-amino-2-hydroxyethyl]-6-cyclohexylphenol

C14H21NO2 — CID 66514859

IUPAC2-[(1R)-1-amino-2-hydroxyethyl]-6-cyclohexylphenol
SMILESN[C@@H](CO)c1cccc(C2CCCCC2)c1O
InChIInChI=1S/C14H21NO2/c15-13(9-16)12-8-4-7-11(14(12)17)10-5-2-1-3-6-10/h4,7-8,10,13,16-17H,1-3,5-6,9,15H2/t13-/m0/s1
InChIKeyVKHRQHRZLJJYIM-ZDUSSCGKSA-N
MW235.33 g/mol
LogP2.43
Rot. Bonds3

About 2-[(1R)-1-amino-2-hydroxyethyl]-6-cyclohexylphenol

2-[(1R)-1-amino-2-hydroxyethyl]-6-cyclohexylphenol (PubChem CID 66514859) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[(1R)-1-amino-2-hydroxyethyl]-6-cyclohexylphenol.

Molecular Properties

Compound Name2-[(1R)-1-amino-2-hydroxyethyl]-6-cyclohexylphenol
PubChem CID66514859
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[(1R)-1-amino-2-hydroxyethyl]-6-cyclohexylphenol
SMILESN[C@@H](CO)c1cccc(C2CCCCC2)c1O
InChIInChI=1S/C14H21NO2/c15-13(9-16)12-8-4-7-11(14(12)17)10-5-2-1-3-6-10/h4,7-8,10,13,16-17H,1-3,5-6,9,15H2/t13-/m0/s1
InChIKeyVKHRQHRZLJJYIM-ZDUSSCGKSA-N
XLogP2.43
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexyl-6-propan-2-ylphenol
CID 3058302
2,6-di(cyclobutyl)phenol
CID 57426118
2-amino-1-(2-cyclohexylphenyl)ethanol
CID 83837309
2-butan-2-yl-6-cyclopropylphenol
CID 3058303
3-cyclopentyl-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 146178995
3-cyclohexyl-6-methylbenzene-1,2-diol
CID 150190518
2-[(1S)-1-amino-2-hydroxyethyl]-6-ethylphenol
CID 55262993
6-cyclohexyl-2-[[3-cyclohexyl-2-hydroxy-6-(1-phenylethyl)phenyl]methyl]-3-(1-phenylethyl)phenol
CID 101304108
2-[(1R)-1-amino-2-hydroxyethyl]-6-(trifluoromethyl)phenol
CID 66514473
2-[3-[(1S)-1-amino-2-hydroxyethyl]-2-hydroxyphenyl]acetic acid
CID 66514499
2,6-di(cycloheptyl)aniline
CID 156891849
2-cyclododecylphenol
CID 22381643

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-2-hydroxyethyl]-6-cyclohexylphenol?
The IUPAC name of 2-[(1R)-1-amino-2-hydroxyethyl]-6-cyclohexylphenol (CID 66514859) is 2-[(1R)-1-amino-2-hydroxyethyl]-6-cyclohexylphenol.
What is the SMILES notation for 2-[(1R)-1-amino-2-hydroxyethyl]-6-cyclohexylphenol?
The canonical SMILES for 2-[(1R)-1-amino-2-hydroxyethyl]-6-cyclohexylphenol is N[C@@H](CO)c1cccc(C2CCCCC2)c1O.
What is the InChIKey of 2-[(1R)-1-amino-2-hydroxyethyl]-6-cyclohexylphenol?
The InChIKey is VKHRQHRZLJJYIM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21NO2/c15-13(9-16)12-8-4-7-11(14(12)17)10-5-2-1-3-6-10/h4,7-8,10,13,16-17H,1-3,5-6,9,15H2/t13-/m0/s1.
What are the key properties of 2-[(1R)-1-amino-2-hydroxyethyl]-6-cyclohexylphenol?
2-[(1R)-1-amino-2-hydroxyethyl]-6-cyclohexylphenol has a molecular weight of 235.33 g/mol, XLogP of 2.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-2-hydroxyethyl]-6-cyclohexylphenol is sourced from PubChem (CID 66514859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).