(1R,2S)-1-amino-1-(2-bromo-4-methylphenyl)propan-2-ol;hydrochloride

C10H15BrClNO — CID 171261686

IUPAC(1R,2S)-1-amino-1-(2-bromo-4-methylphenyl)propan-2-ol;hydrochloride
SMILESCc1ccc([C@@H](N)[C@H](C)O)c(Br)c1.Cl
InChIInChI=1S/C10H14BrNO.ClH/c1-6-3-4-8(9(11)5-6)10(12)7(2)13;/h3-5,7,10,13H,12H2,1-2H3;1H/t7-,10-;/m0./s1
InChIKeyLMHPSAHJKHDBNK-YUWZRIFDSA-N
MW280.59 g/mol
LogP2.56
Rot. Bonds2

About (1R,2S)-1-amino-1-(2-bromo-4-methylphenyl)propan-2-ol;hydrochloride

(1R,2S)-1-amino-1-(2-bromo-4-methylphenyl)propan-2-ol;hydrochloride (PubChem CID 171261686) has the molecular formula C10H15BrClNO and a molecular weight of 280.59 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(2-bromo-4-methylphenyl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(2-bromo-4-methylphenyl)propan-2-ol;hydrochloride
PubChem CID171261686
Molecular FormulaC10H15BrClNO
Molecular Weight280.59 g/mol
Exact Mass279.00
IUPAC Name(1R,2S)-1-amino-1-(2-bromo-4-methylphenyl)propan-2-ol;hydrochloride
SMILESCc1ccc([C@@H](N)[C@H](C)O)c(Br)c1.Cl
InChIInChI=1S/C10H14BrNO.ClH/c1-6-3-4-8(9(11)5-6)10(12)7(2)13;/h3-5,7,10,13H,12H2,1-2H3;1H/t7-,10-;/m0./s1
InChIKeyLMHPSAHJKHDBNK-YUWZRIFDSA-N
XLogP2.56
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.59
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-1-amino-1-(2-bromo-4-methylphenyl)-3-methylbutan-2-ol
CID 131392240
(1S)-1-amino-1-(2-bromo-5-methylphenyl)propan-2-ol
CID 130612521
1-amino-1-(2,4-dibromophenyl)propan-2-ol
CID 130041715
(1R)-1-(2-bromo-4-methylphenyl)-2,2-difluoroethanamine;hydrochloride
CID 171240370
(2R,3R)-3-amino-3-(2-bromo-4-methylphenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride
CID 171261701
(1R)-1-amino-1-(4-amino-2-bromophenyl)propan-2-ol
CID 130665651
(1R,2R)-1-amino-1-(2,4-dimethylphenyl)propan-2-ol
CID 131023872
(1R)-1-(2-bromo-4-methylphenyl)-2,2-difluoroethanamine
CID 130626598
(1R,2S)-1-amino-1-(2-bromo-4-methylphenyl)-3,3-dimethylbutan-2-ol
CID 171261698
(1R)-1-amino-1-(2-bromo-4-chlorophenyl)propan-2-ol
CID 131128779
(1R,2S)-1-amino-1-(2-bromo-4-chlorophenyl)propan-2-ol
CID 130613122
(1S,2R)-2-amino-2-(2-bromo-4-methylphenyl)-1-cyclohexylethanol;hydrochloride
CID 171261695

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(2-bromo-4-methylphenyl)propan-2-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-amino-1-(2-bromo-4-methylphenyl)propan-2-ol;hydrochloride (CID 171261686) is (1R,2S)-1-amino-1-(2-bromo-4-methylphenyl)propan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-amino-1-(2-bromo-4-methylphenyl)propan-2-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-amino-1-(2-bromo-4-methylphenyl)propan-2-ol;hydrochloride is Cc1ccc([C@@H](N)[C@H](C)O)c(Br)c1.Cl.
What is the InChIKey of (1R,2S)-1-amino-1-(2-bromo-4-methylphenyl)propan-2-ol;hydrochloride?
The InChIKey is LMHPSAHJKHDBNK-YUWZRIFDSA-N. The full InChI is InChI=1S/C10H14BrNO.ClH/c1-6-3-4-8(9(11)5-6)10(12)7(2)13;/h3-5,7,10,13H,12H2,1-2H3;1H/t7-,10-;/m0./s1.
What are the key properties of (1R,2S)-1-amino-1-(2-bromo-4-methylphenyl)propan-2-ol;hydrochloride?
(1R,2S)-1-amino-1-(2-bromo-4-methylphenyl)propan-2-ol;hydrochloride has a molecular weight of 280.59 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(2-bromo-4-methylphenyl)propan-2-ol;hydrochloride is sourced from PubChem (CID 171261686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).