(1R,2S)-1-amino-1-(3,4-dibromophenyl)-3-methylpentan-2-ol

C12H17Br2NO — CID 171265799

IUPAC(1R,2S)-1-amino-1-(3,4-dibromophenyl)-3-methylpentan-2-ol
SMILESCCC(C)[C@H](O)[C@H](N)c1ccc(Br)c(Br)c1
InChIInChI=1S/C12H17Br2NO/c1-3-7(2)12(16)11(15)8-4-5-9(13)10(14)6-8/h4-7,11-12,16H,3,15H2,1-2H3/t7?,11-,12+/m1/s1
InChIKeyYOMFOQPFATXLAA-BMVHATROSA-N
MW351.08 g/mol
LogP3.62
Rot. Bonds4

About (1R,2S)-1-amino-1-(3,4-dibromophenyl)-3-methylpentan-2-ol

(1R,2S)-1-amino-1-(3,4-dibromophenyl)-3-methylpentan-2-ol (PubChem CID 171265799) has the molecular formula C12H17Br2NO and a molecular weight of 351.08 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(3,4-dibromophenyl)-3-methylpentan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(3,4-dibromophenyl)-3-methylpentan-2-ol
PubChem CID171265799
Molecular FormulaC12H17Br2NO
Molecular Weight351.08 g/mol
Exact Mass348.97
IUPAC Name(1R,2S)-1-amino-1-(3,4-dibromophenyl)-3-methylpentan-2-ol
SMILESCCC(C)[C@H](O)[C@H](N)c1ccc(Br)c(Br)c1
InChIInChI=1S/C12H17Br2NO/c1-3-7(2)12(16)11(15)8-4-5-9(13)10(14)6-8/h4-7,11-12,16H,3,15H2,1-2H3/t7?,11-,12+/m1/s1
InChIKeyYOMFOQPFATXLAA-BMVHATROSA-N
XLogP3.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.08
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-1-amino-1-(3,4-dibromophenyl)-5-methylhexan-2-ol;hydrochloride
CID 171271478
(1S)-1-(4-bromo-3-fluorophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171221336
(1S,2R)-1-amino-1-(3-chloro-4-methylphenyl)-3-methylpentan-2-ol
CID 171267982
5-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]benzene-1,3-diol;hydrochloride
CID 171266829
4-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]-2,6-dimethylphenol
CID 171268127
(1S,2R)-1-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpentan-2-ol;hydrochloride
CID 171268724
(1R,2S)-1-amino-1-[3-chloro-4-(trifluoromethyl)phenyl]-3-methylpentan-2-ol
CID 171265717
(1S)-1-(3,4-dibromophenyl)butan-1-amine
CID 130739510
(1S)-1-(3,4-dibromophenyl)-3-methylbutan-1-amine
CID 130641493
(1R)-1-(3,4-dibromophenyl)butan-1-amine
CID 130673463
(1S,2R)-1-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpentan-2-ol;hydrochloride
CID 171267517
(1R,2S)-1-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylpentan-2-ol
CID 171263350

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(3,4-dibromophenyl)-3-methylpentan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-(3,4-dibromophenyl)-3-methylpentan-2-ol (CID 171265799) is (1R,2S)-1-amino-1-(3,4-dibromophenyl)-3-methylpentan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-(3,4-dibromophenyl)-3-methylpentan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-(3,4-dibromophenyl)-3-methylpentan-2-ol is CCC(C)[C@H](O)[C@H](N)c1ccc(Br)c(Br)c1.
What is the InChIKey of (1R,2S)-1-amino-1-(3,4-dibromophenyl)-3-methylpentan-2-ol?
The InChIKey is YOMFOQPFATXLAA-BMVHATROSA-N. The full InChI is InChI=1S/C12H17Br2NO/c1-3-7(2)12(16)11(15)8-4-5-9(13)10(14)6-8/h4-7,11-12,16H,3,15H2,1-2H3/t7?,11-,12+/m1/s1.
What are the key properties of (1R,2S)-1-amino-1-(3,4-dibromophenyl)-3-methylpentan-2-ol?
(1R,2S)-1-amino-1-(3,4-dibromophenyl)-3-methylpentan-2-ol has a molecular weight of 351.08 g/mol, XLogP of 3.62, 4 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-(3,4-dibromophenyl)-3-methylpentan-2-ol is sourced from PubChem (CID 171265799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).