(2S)-2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutan-1-ol

C13H19Br2NO — CID 79250446

IUPAC(2S)-2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutan-1-ol
SMILESCC(N[C@H](CO)C(C)C)c1ccc(Br)cc1Br
InChIInChI=1S/C13H19Br2NO/c1-8(2)13(7-17)16-9(3)11-5-4-10(14)6-12(11)15/h4-6,8-9,13,16-17H,7H2,1-3H3/t9?,13-/m1/s1
InChIKeyOQDWCQBWXFOCPE-WCRCJTMVSA-N
MW365.11 g/mol
LogP3.88
Rot. Bonds5

About (2S)-2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutan-1-ol

(2S)-2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutan-1-ol (PubChem CID 79250446) has the molecular formula C13H19Br2NO and a molecular weight of 365.11 g/mol. Its IUPAC name is (2S)-2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutan-1-ol
PubChem CID79250446
Molecular FormulaC13H19Br2NO
Molecular Weight365.11 g/mol
Exact Mass362.98
IUPAC Name(2S)-2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutan-1-ol
SMILESCC(N[C@H](CO)C(C)C)c1ccc(Br)cc1Br
InChIInChI=1S/C13H19Br2NO/c1-8(2)13(7-17)16-9(3)11-5-4-10(14)6-12(11)15/h4-6,8-9,13,16-17H,7H2,1-3H3/t9?,13-/m1/s1
InChIKeyOQDWCQBWXFOCPE-WCRCJTMVSA-N
XLogP3.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.11
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dibromophenyl)ethyl]butan-2-amine
CID 60781142
2-[1-(2,4-dibromophenyl)ethylamino]-3-phenylpropan-1-ol
CID 63260856
(2R)-2-[1-(2,4-dibromophenyl)ethylamino]-3-phenylpropan-1-ol
CID 107860710
N-[1-(2,4-dibromophenyl)ethyl]-5-methylhexan-2-amine
CID 60781473
2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutanamide
CID 106344290
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylpentan-3-amine
CID 82774823
N-[1-(2,4-dibromophenyl)ethyl]-6-methylheptan-2-amine
CID 60781481
1-(2,4-dibromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 81375703
2-[1-[(1-hydroxy-3-methylbutan-2-yl)amino]ethyl]-5-methylphenol
CID 79253947
N-[1-(2,4-dibromophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 63449322
N-[1-(2,4-dibromophenyl)ethyl]-4-methoxybutan-2-amine
CID 64604230
(2R)-2-[1-(2-bromo-4-fluorophenyl)ethylamino]propan-1-ol
CID 103778517

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutan-1-ol (CID 79250446) is (2S)-2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutan-1-ol is CC(N[C@H](CO)C(C)C)c1ccc(Br)cc1Br.
What is the InChIKey of (2S)-2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutan-1-ol?
The InChIKey is OQDWCQBWXFOCPE-WCRCJTMVSA-N. The full InChI is InChI=1S/C13H19Br2NO/c1-8(2)13(7-17)16-9(3)11-5-4-10(14)6-12(11)15/h4-6,8-9,13,16-17H,7H2,1-3H3/t9?,13-/m1/s1.
What are the key properties of (2S)-2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutan-1-ol?
(2S)-2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutan-1-ol has a molecular weight of 365.11 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 79250446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).