(3R)-3-amino-3-(2,5-dibromophenyl)propan-1-ol

C9H11Br2NO — CID 131090689

IUPAC(3R)-3-amino-3-(2,5-dibromophenyl)propan-1-ol
SMILESN[C@H](CCO)c1cc(Br)ccc1Br
InChIInChI=1S/C9H11Br2NO/c10-6-1-2-8(11)7(5-6)9(12)3-4-13/h1-2,5,9,13H,3-4,12H2/t9-/m1/s1
InChIKeyYTYQVKIZOVFLEB-SECBINFHSA-N
MW309.00 g/mol
LogP2.59
Rot. Bonds3

About (3R)-3-amino-3-(2,5-dibromophenyl)propan-1-ol

(3R)-3-amino-3-(2,5-dibromophenyl)propan-1-ol (PubChem CID 131090689) has the molecular formula C9H11Br2NO and a molecular weight of 309.00 g/mol. Its IUPAC name is (3R)-3-amino-3-(2,5-dibromophenyl)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(2,5-dibromophenyl)propan-1-ol
PubChem CID131090689
Molecular FormulaC9H11Br2NO
Molecular Weight309.00 g/mol
Exact Mass306.92
IUPAC Name(3R)-3-amino-3-(2,5-dibromophenyl)propan-1-ol
SMILESN[C@H](CCO)c1cc(Br)ccc1Br
InChIInChI=1S/C9H11Br2NO/c10-6-1-2-8(11)7(5-6)9(12)3-4-13/h1-2,5,9,13H,3-4,12H2/t9-/m1/s1
InChIKeyYTYQVKIZOVFLEB-SECBINFHSA-N
XLogP2.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol
CID 84711249
(3R)-3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol
CID 130740189
(3S)-3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol;hydrochloride
CID 171223578
3-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol
CID 131075568
2-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol;hydrochloride
CID 171198651
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)propan-1-ol;hydrochloride
CID 171220171
2-[(1S)-1-amino-4-hydroxybutyl]-4-bromophenol
CID 171218170
(1R)-1-(2,5-dibromophenyl)-2-fluoroethanamine;hydrochloride
CID 171235024
2-[(1S)-1-amino-4-hydroxybutyl]-5-bromophenol
CID 171224302
3-amino-3-(2-amino-5-bromo-3-pyridinyl)propan-1-ol
CID 84705565
(4S)-4-amino-4-(2-bromo-5-chlorophenyl)butan-1-ol;hydrochloride
CID 171223329
(3S)-3-amino-3-(2-amino-5-bromo-3-pyridinyl)propan-1-ol
CID 130664394

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(2,5-dibromophenyl)propan-1-ol?
The IUPAC name of (3R)-3-amino-3-(2,5-dibromophenyl)propan-1-ol (CID 131090689) is (3R)-3-amino-3-(2,5-dibromophenyl)propan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(2,5-dibromophenyl)propan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(2,5-dibromophenyl)propan-1-ol is N[C@H](CCO)c1cc(Br)ccc1Br.
What is the InChIKey of (3R)-3-amino-3-(2,5-dibromophenyl)propan-1-ol?
The InChIKey is YTYQVKIZOVFLEB-SECBINFHSA-N. The full InChI is InChI=1S/C9H11Br2NO/c10-6-1-2-8(11)7(5-6)9(12)3-4-13/h1-2,5,9,13H,3-4,12H2/t9-/m1/s1.
What are the key properties of (3R)-3-amino-3-(2,5-dibromophenyl)propan-1-ol?
(3R)-3-amino-3-(2,5-dibromophenyl)propan-1-ol has a molecular weight of 309.00 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(2,5-dibromophenyl)propan-1-ol is sourced from PubChem (CID 131090689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).