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

C14H24ClNO — CID 171270666

IUPAC(1S,2R)-1-amino-1-(2,3,4,5,6-pentamethylphenyl)propan-2-ol;hydrochloride
SMILESCc1c(C)c(C)c([C@H](N)[C@@H](C)O)c(C)c1C.Cl
InChIInChI=1S/C14H23NO.ClH/c1-7-8(2)10(4)13(11(5)9(7)3)14(15)12(6)16;/h12,14,16H,15H2,1-6H3;1H/t12-,14-;/m1./s1
InChIKeyIDKAYLIAINBSOH-QMDUSEKHSA-N
MW257.80 g/mol
LogP3.03
Rot. Bonds2

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

(1S,2R)-1-amino-1-(2,3,4,5,6-pentamethylphenyl)propan-2-ol;hydrochloride (PubChem CID 171270666) has the molecular formula C14H24ClNO and a molecular weight of 257.80 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(2,3,4,5,6-pentamethylphenyl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(2,3,4,5,6-pentamethylphenyl)propan-2-ol;hydrochloride
PubChem CID171270666
Molecular FormulaC14H24ClNO
Molecular Weight257.80 g/mol
Exact Mass257.15
IUPAC Name(1S,2R)-1-amino-1-(2,3,4,5,6-pentamethylphenyl)propan-2-ol;hydrochloride
SMILESCc1c(C)c(C)c([C@H](N)[C@@H](C)O)c(C)c1C.Cl
InChIInChI=1S/C14H23NO.ClH/c1-7-8(2)10(4)13(11(5)9(7)3)14(15)12(6)16;/h12,14,16H,15H2,1-6H3;1H/t12-,14-;/m1./s1
InChIKeyIDKAYLIAINBSOH-QMDUSEKHSA-N
XLogP3.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.80
LogP ≤ 53.03
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-(2,3,4,5,6-pentamethylphenyl)butan-2-ol
CID 171270667
(1R,2S)-2-amino-1-cyclobutyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol;hydrochloride
CID 171270672
2-(1-amino-2-hydroxypropyl)-3,6-dimethylphenol
CID 130059979
(1R,2S)-2-amino-1-cyclopentyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol
CID 171270673
2-[(1R)-1-amino-2-hydroxypropyl]benzene-1,3,5-triol
CID 130605710
2-[(1S)-1-amino-2-hydroxypropyl]-3-fluorophenol
CID 130739566
(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)propan-2-ol;hydrochloride
CID 171261396
(1S,2R)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol;hydrochloride
CID 171268660
(1S,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)propan-2-ol
CID 130691397
(1R,2S)-1-amino-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol
CID 131565436
1-amino-1-(2-chloro-6-methylphenyl)propan-2-ol
CID 55270715

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(2,3,4,5,6-pentamethylphenyl)propan-2-ol;hydrochloride?
The IUPAC name of (1S,2R)-1-amino-1-(2,3,4,5,6-pentamethylphenyl)propan-2-ol;hydrochloride (CID 171270666) is (1S,2R)-1-amino-1-(2,3,4,5,6-pentamethylphenyl)propan-2-ol;hydrochloride.
What is the SMILES notation for (1S,2R)-1-amino-1-(2,3,4,5,6-pentamethylphenyl)propan-2-ol;hydrochloride?
The canonical SMILES for (1S,2R)-1-amino-1-(2,3,4,5,6-pentamethylphenyl)propan-2-ol;hydrochloride is Cc1c(C)c(C)c([C@H](N)[C@@H](C)O)c(C)c1C.Cl.
What is the InChIKey of (1S,2R)-1-amino-1-(2,3,4,5,6-pentamethylphenyl)propan-2-ol;hydrochloride?
The InChIKey is IDKAYLIAINBSOH-QMDUSEKHSA-N. The full InChI is InChI=1S/C14H23NO.ClH/c1-7-8(2)10(4)13(11(5)9(7)3)14(15)12(6)16;/h12,14,16H,15H2,1-6H3;1H/t12-,14-;/m1./s1.
What are the key properties of (1S,2R)-1-amino-1-(2,3,4,5,6-pentamethylphenyl)propan-2-ol;hydrochloride?
(1S,2R)-1-amino-1-(2,3,4,5,6-pentamethylphenyl)propan-2-ol;hydrochloride has a molecular weight of 257.80 g/mol, XLogP of 3.03, 2 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)propan-2-ol;hydrochloride is sourced from PubChem (CID 171270666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).