(1S,2R)-1-amino-1-(2,3,4,5,6-pentamethylphenyl)butan-2-ol

C15H25NO — CID 171270667

IUPAC(1S,2R)-1-amino-1-(2,3,4,5,6-pentamethylphenyl)butan-2-ol
SMILESCC[C@@H](O)[C@@H](N)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C15H25NO/c1-7-13(17)15(16)14-11(5)9(3)8(2)10(4)12(14)6/h13,15,17H,7,16H2,1-6H3/t13-,15-/m1/s1
InChIKeyBJNSDGLKXMJBNB-UKRRQHHQSA-N
MW235.37 g/mol
LogP3.00
Rot. Bonds3

About (1S,2R)-1-amino-1-(2,3,4,5,6-pentamethylphenyl)butan-2-ol

(1S,2R)-1-amino-1-(2,3,4,5,6-pentamethylphenyl)butan-2-ol (PubChem CID 171270667) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(2,3,4,5,6-pentamethylphenyl)butan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(2,3,4,5,6-pentamethylphenyl)butan-2-ol
PubChem CID171270667
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(1S,2R)-1-amino-1-(2,3,4,5,6-pentamethylphenyl)butan-2-ol
SMILESCC[C@@H](O)[C@@H](N)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C15H25NO/c1-7-13(17)15(16)14-11(5)9(3)8(2)10(4)12(14)6/h13,15,17H,7,16H2,1-6H3/t13-,15-/m1/s1
InChIKeyBJNSDGLKXMJBNB-UKRRQHHQSA-N
XLogP3.00
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-amino-5-methyl-1-(2,3,4,5,6-pentamethylphenyl)hexan-2-ol
CID 171265016
(1S,2R)-1-amino-1-(2,6-dimethoxyphenyl)butan-2-ol
CID 171267082
4-[(1S,2R)-1-amino-2-hydroxybutyl]-3,5-dimethoxyphenol
CID 171268735
(2S,3R)-2-aminopentane-1,3-diol
CID 44561573
1-amino-1-(3-methylthiophen-2-yl)butan-2-ol
CID 130144766
1-amino-1-(5-chlorofuran-2-yl)butan-2-ol
CID 130143451
(3R,4S)-4-aminohexan-3-ol
CID 640991
4-amino-5,5-dimethylhexan-3-ol
CID 164650293
(1R,2S)-2-amino-1-cyclobutyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol;hydrochloride
CID 171270672
(1S,2R)-1-amino-1-(4-propan-2-ylphenyl)butan-2-ol;hydrochloride
CID 171162399
1-amino-1-(3,5-difluorophenyl)butan-2-ol
CID 130150345
5-[(1R,2S)-1-amino-2-hydroxybutyl]benzene-1,3-diol;hydrochloride
CID 171261128

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(2,3,4,5,6-pentamethylphenyl)butan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-(2,3,4,5,6-pentamethylphenyl)butan-2-ol (CID 171270667) is (1S,2R)-1-amino-1-(2,3,4,5,6-pentamethylphenyl)butan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-(2,3,4,5,6-pentamethylphenyl)butan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-(2,3,4,5,6-pentamethylphenyl)butan-2-ol is CC[C@@H](O)[C@@H](N)c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of (1S,2R)-1-amino-1-(2,3,4,5,6-pentamethylphenyl)butan-2-ol?
The InChIKey is BJNSDGLKXMJBNB-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H25NO/c1-7-13(17)15(16)14-11(5)9(3)8(2)10(4)12(14)6/h13,15,17H,7,16H2,1-6H3/t13-,15-/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-(2,3,4,5,6-pentamethylphenyl)butan-2-ol?
(1S,2R)-1-amino-1-(2,3,4,5,6-pentamethylphenyl)butan-2-ol has a molecular weight of 235.37 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(2,3,4,5,6-pentamethylphenyl)butan-2-ol is sourced from PubChem (CID 171270667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).