(1R,2S)-2-amino-1-cyclobutyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol;hydrochloride

C17H28ClNO — CID 171270672

IUPAC(1R,2S)-2-amino-1-cyclobutyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol;hydrochloride
SMILESCc1c(C)c(C)c([C@H](N)[C@H](O)C2CCC2)c(C)c1C.Cl
InChIInChI=1S/C17H27NO.ClH/c1-9-10(2)12(4)15(13(5)11(9)3)16(18)17(19)14-7-6-8-14;/h14,16-17,19H,6-8,18H2,1-5H3;1H/t16-,17+;/m0./s1
InChIKeyWADPRFGWSYDEOE-MCJVGQIASA-N
MW297.87 g/mol
LogP3.81
Rot. Bonds3

About (1R,2S)-2-amino-1-cyclobutyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol;hydrochloride

(1R,2S)-2-amino-1-cyclobutyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol;hydrochloride (PubChem CID 171270672) has the molecular formula C17H28ClNO and a molecular weight of 297.87 g/mol. Its IUPAC name is (1R,2S)-2-amino-1-cyclobutyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-2-amino-1-cyclobutyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol;hydrochloride
PubChem CID171270672
Molecular FormulaC17H28ClNO
Molecular Weight297.87 g/mol
Exact Mass297.19
IUPAC Name(1R,2S)-2-amino-1-cyclobutyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol;hydrochloride
SMILESCc1c(C)c(C)c([C@H](N)[C@H](O)C2CCC2)c(C)c1C.Cl
InChIInChI=1S/C17H27NO.ClH/c1-9-10(2)12(4)15(13(5)11(9)3)16(18)17(19)14-7-6-8-14;/h14,16-17,19H,6-8,18H2,1-5H3;1H/t16-,17+;/m0./s1
InChIKeyWADPRFGWSYDEOE-MCJVGQIASA-N
XLogP3.81
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2S)-2-amino-1-cyclobutyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol;hydrochloride with MolForge

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Related Compounds

(1R,2S)-2-amino-1-cyclopentyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol
CID 171270673
(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethylphenyl)ethanol;hydrochloride
CID 171267921
(1R,2S)-2-amino-1-cyclopentyl-2-(2,4,6-trimethylphenyl)ethanol
CID 171268340
4-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3,5-dimethylphenol
CID 171266603
(1R,2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)-1-cyclobutylethanol;hydrochloride
CID 171269724
(1S,2R)-2-amino-1-cyclopentyl-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride
CID 171264100
(1S,2R)-1-amino-1-(2,3,4,5,6-pentamethylphenyl)propan-2-ol;hydrochloride
CID 171270666
(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride
CID 171269778
(1S,2R)-2-amino-1-cyclobutyl-2-(2,3-dimethylphenyl)ethanol
CID 171261811
(1S,2R)-2-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)ethanol;hydrochloride
CID 171261250
(1R,2S)-2-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)ethanol;hydrochloride
CID 171266933
(1R,2S)-2-amino-1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol
CID 171162059

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-1-cyclobutyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol;hydrochloride?
The IUPAC name of (1R,2S)-2-amino-1-cyclobutyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol;hydrochloride (CID 171270672) is (1R,2S)-2-amino-1-cyclobutyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol;hydrochloride.
What is the SMILES notation for (1R,2S)-2-amino-1-cyclobutyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol;hydrochloride?
The canonical SMILES for (1R,2S)-2-amino-1-cyclobutyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol;hydrochloride is Cc1c(C)c(C)c([C@H](N)[C@H](O)C2CCC2)c(C)c1C.Cl.
What is the InChIKey of (1R,2S)-2-amino-1-cyclobutyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol;hydrochloride?
The InChIKey is WADPRFGWSYDEOE-MCJVGQIASA-N. The full InChI is InChI=1S/C17H27NO.ClH/c1-9-10(2)12(4)15(13(5)11(9)3)16(18)17(19)14-7-6-8-14;/h14,16-17,19H,6-8,18H2,1-5H3;1H/t16-,17+;/m0./s1.
What are the key properties of (1R,2S)-2-amino-1-cyclobutyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol;hydrochloride?
(1R,2S)-2-amino-1-cyclobutyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol;hydrochloride has a molecular weight of 297.87 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-1-cyclobutyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol;hydrochloride is sourced from PubChem (CID 171270672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).