(2S)-3-amino-2-(4-bromophenyl)butan-2-ol

C10H14BrNO — CID 153252372

IUPAC(2S)-3-amino-2-(4-bromophenyl)butan-2-ol
SMILESCC(N)[C@@](C)(O)c1ccc(Br)cc1
InChIInChI=1S/C10H14BrNO/c1-7(12)10(2,13)8-3-5-9(11)6-4-8/h3-7,13H,12H2,1-2H3/t7?,10-/m1/s1
InChIKeyWTOYRYGRQQRSIN-OMNKOJBGSA-N
MW244.13 g/mol
LogP2.00
Rot. Bonds2

About (2S)-3-amino-2-(4-bromophenyl)butan-2-ol

(2S)-3-amino-2-(4-bromophenyl)butan-2-ol (PubChem CID 153252372) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is (2S)-3-amino-2-(4-bromophenyl)butan-2-ol.

Molecular Properties

Compound Name(2S)-3-amino-2-(4-bromophenyl)butan-2-ol
PubChem CID153252372
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name(2S)-3-amino-2-(4-bromophenyl)butan-2-ol
SMILESCC(N)[C@@](C)(O)c1ccc(Br)cc1
InChIInChI=1S/C10H14BrNO/c1-7(12)10(2,13)8-3-5-9(11)6-4-8/h3-7,13H,12H2,1-2H3/t7?,10-/m1/s1
InChIKeyWTOYRYGRQQRSIN-OMNKOJBGSA-N
XLogP2.00
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-3-methylpentan-2-ol
CID 79445926
3-(4-bromophenyl)-3-hydroxy-2-methylbutanenitrile
CID 79131056
(2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol
CID 100920235
ethyl 3-(4-bromophenyl)-3-hydroxy-2-propan-2-ylbutanoate
CID 62396402
1-amino-2-(4-bromophenyl)propan-2-ol
CID 19424694
methyl 3-(4-bromophenyl)-2-ethyl-3-hydroxybutanoate
CID 62394591
2-(4-bromophenyl)-3-methylbutan-2-amine;hydrochloride
CID 75525874
(2R)-2-(4-bromophenyl)butan-2-ol
CID 15642444
[(2R)-2-(4-bromophenyl)-2-hydroxypropyl]-propan-2-ylazanium
CID 7233361
3-amino-2-pyridin-3-ylbutan-2-ol
CID 82414167
2-(4-bromophenyl)-N'-hydroxy-2,3-dimethylbutanimidamide
CID 127264014
2-(4-bromophenyl)-N'-hydroxy-2,3-dimethylbutanimidamide
CID 88572366

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-2-(4-bromophenyl)butan-2-ol?
The IUPAC name of (2S)-3-amino-2-(4-bromophenyl)butan-2-ol (CID 153252372) is (2S)-3-amino-2-(4-bromophenyl)butan-2-ol.
What is the SMILES notation for (2S)-3-amino-2-(4-bromophenyl)butan-2-ol?
The canonical SMILES for (2S)-3-amino-2-(4-bromophenyl)butan-2-ol is CC(N)[C@@](C)(O)c1ccc(Br)cc1.
What is the InChIKey of (2S)-3-amino-2-(4-bromophenyl)butan-2-ol?
The InChIKey is WTOYRYGRQQRSIN-OMNKOJBGSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-7(12)10(2,13)8-3-5-9(11)6-4-8/h3-7,13H,12H2,1-2H3/t7?,10-/m1/s1.
What are the key properties of (2S)-3-amino-2-(4-bromophenyl)butan-2-ol?
(2S)-3-amino-2-(4-bromophenyl)butan-2-ol has a molecular weight of 244.13 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-2-(4-bromophenyl)butan-2-ol is sourced from PubChem (CID 153252372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).