1-amino-1-(2,4-dibromophenyl)propan-2-ol

C9H11Br2NO — CID 130041715

IUPAC1-amino-1-(2,4-dibromophenyl)propan-2-ol
SMILESCC(O)C(N)c1ccc(Br)cc1Br
InChIInChI=1S/C9H11Br2NO/c1-5(13)9(12)7-3-2-6(10)4-8(7)11/h2-5,9,13H,12H2,1H3
InChIKeyRNFXIRACNCSFHL-UHFFFAOYSA-N
MW309.00 g/mol
LogP2.59
Rot. Bonds2

About 1-amino-1-(2,4-dibromophenyl)propan-2-ol

1-amino-1-(2,4-dibromophenyl)propan-2-ol (PubChem CID 130041715) has the molecular formula C9H11Br2NO and a molecular weight of 309.00 g/mol. Its IUPAC name is 1-amino-1-(2,4-dibromophenyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-1-(2,4-dibromophenyl)propan-2-ol
PubChem CID130041715
Molecular FormulaC9H11Br2NO
Molecular Weight309.00 g/mol
Exact Mass306.92
IUPAC Name1-amino-1-(2,4-dibromophenyl)propan-2-ol
SMILESCC(O)C(N)c1ccc(Br)cc1Br
InChIInChI=1S/C9H11Br2NO/c1-5(13)9(12)7-3-2-6(10)4-8(7)11/h2-5,9,13H,12H2,1H3
InChIKeyRNFXIRACNCSFHL-UHFFFAOYSA-N
XLogP2.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.00
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-amino-1-(2-amino-4-bromophenyl)propan-2-ol
CID 130943677
(1S,2R)-1-amino-1-(2,5-dibromophenyl)propan-2-ol;hydrochloride
CID 171271433
(1R)-1-amino-1-(4-amino-2-bromophenyl)propan-2-ol
CID 130665651
2-[(1S,2S)-1-amino-2-hydroxypropyl]-5-bromophenol
CID 130691450
(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
(1R,2S)-1-amino-1-(2-bromo-4-methylphenyl)propan-2-ol;hydrochloride
CID 171261686
(1R,2S)-1-amino-1-(4-bromo-2-methoxyphenyl)propan-2-ol
CID 130727947
1-(2,4-dibromophenyl)-2-methylbutan-1-amine
CID 107946440
(1S,2R)-1-amino-1-(5-bromo-2-chlorophenyl)propan-2-ol
CID 130649262
(1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol
CID 131030004
2-[(1R,2S)-1-amino-2-hydroxypropyl]-4,6-dibromophenol
CID 130990105

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(2,4-dibromophenyl)propan-2-ol?
The IUPAC name of 1-amino-1-(2,4-dibromophenyl)propan-2-ol (CID 130041715) is 1-amino-1-(2,4-dibromophenyl)propan-2-ol.
What is the SMILES notation for 1-amino-1-(2,4-dibromophenyl)propan-2-ol?
The canonical SMILES for 1-amino-1-(2,4-dibromophenyl)propan-2-ol is CC(O)C(N)c1ccc(Br)cc1Br.
What is the InChIKey of 1-amino-1-(2,4-dibromophenyl)propan-2-ol?
The InChIKey is RNFXIRACNCSFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2NO/c1-5(13)9(12)7-3-2-6(10)4-8(7)11/h2-5,9,13H,12H2,1H3.
What are the key properties of 1-amino-1-(2,4-dibromophenyl)propan-2-ol?
1-amino-1-(2,4-dibromophenyl)propan-2-ol has a molecular weight of 309.00 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(2,4-dibromophenyl)propan-2-ol is sourced from PubChem (CID 130041715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).