(3S)-3-amino-3-(2,3-dibromophenyl)propan-1-ol

C9H11Br2NO — CID 130664899

IUPAC(3S)-3-amino-3-(2,3-dibromophenyl)propan-1-ol
SMILESN[C@@H](CCO)c1cccc(Br)c1Br
InChIInChI=1S/C9H11Br2NO/c10-7-3-1-2-6(9(7)11)8(12)4-5-13/h1-3,8,13H,4-5,12H2/t8-/m0/s1
InChIKeyXNXHFJAKDWNFBM-QMMMGPOBSA-N
MW309.00 g/mol
LogP2.59
Rot. Bonds3

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

(3S)-3-amino-3-(2,3-dibromophenyl)propan-1-ol (PubChem CID 130664899) has the molecular formula C9H11Br2NO and a molecular weight of 309.00 g/mol. Its IUPAC name is (3S)-3-amino-3-(2,3-dibromophenyl)propan-1-ol.

Molecular Properties

Compound Name(3S)-3-amino-3-(2,3-dibromophenyl)propan-1-ol
PubChem CID130664899
Molecular FormulaC9H11Br2NO
Molecular Weight309.00 g/mol
Exact Mass306.92
IUPAC Name(3S)-3-amino-3-(2,3-dibromophenyl)propan-1-ol
SMILESN[C@@H](CCO)c1cccc(Br)c1Br
InChIInChI=1S/C9H11Br2NO/c10-7-3-1-2-6(9(7)11)8(12)4-5-13/h1-3,8,13H,4-5,12H2/t8-/m0/s1
InChIKeyXNXHFJAKDWNFBM-QMMMGPOBSA-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

(3R)-3-amino-3-(2-bromo-3-methylphenyl)propan-1-ol
CID 130955641
1-(2,3-dibromophenyl)ethane-1,2-diamine
CID 130043520
(3S)-3-amino-3-(2-iodophenyl)propan-1-ol;hydrochloride
CID 171230144
(4S)-4-amino-4-(2-bromophenyl)butan-1-ol;hydrochloride
CID 171217585
1-(2,3-dibromophenyl)-2-methoxyethanamine
CID 130043522
(3S)-3-amino-3-(2-chloro-3-iodophenyl)propan-1-ol
CID 130987859
(1R)-2-amino-1-(2,3-dibromophenyl)ethanol
CID 54407818
2-(1-amino-3-hydroxypropyl)phenol;hydrochloride
CID 170874374
(3R)-3-amino-3-(2,5-dibromophenyl)propan-1-ol
CID 131090689
2-bromo-6-[(1R)-1,3-diaminopropyl]phenol
CID 130869295
(3S)-3-amino-3-(2-bromo-6-fluorophenyl)propan-1-ol;hydrochloride
CID 171223240
(3R)-3-amino-3-(3-bromo-2-chloro-4-pyridinyl)propan-1-ol
CID 130736600

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(2,3-dibromophenyl)propan-1-ol?
The IUPAC name of (3S)-3-amino-3-(2,3-dibromophenyl)propan-1-ol (CID 130664899) is (3S)-3-amino-3-(2,3-dibromophenyl)propan-1-ol.
What is the SMILES notation for (3S)-3-amino-3-(2,3-dibromophenyl)propan-1-ol?
The canonical SMILES for (3S)-3-amino-3-(2,3-dibromophenyl)propan-1-ol is N[C@@H](CCO)c1cccc(Br)c1Br.
What is the InChIKey of (3S)-3-amino-3-(2,3-dibromophenyl)propan-1-ol?
The InChIKey is XNXHFJAKDWNFBM-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11Br2NO/c10-7-3-1-2-6(9(7)11)8(12)4-5-13/h1-3,8,13H,4-5,12H2/t8-/m0/s1.
What are the key properties of (3S)-3-amino-3-(2,3-dibromophenyl)propan-1-ol?
(3S)-3-amino-3-(2,3-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 (3S)-3-amino-3-(2,3-dibromophenyl)propan-1-ol is sourced from PubChem (CID 130664899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).