(2S)-2-amino-3-(3-bromophenyl)propan-1-ol;hydrochloride

C9H13BrClNO — CID 178200029

IUPAC(2S)-2-amino-3-(3-bromophenyl)propan-1-ol;hydrochloride
SMILESCl.N[C@H](CO)Cc1cccc(Br)c1
InChIInChI=1S/C9H12BrNO.ClH/c10-8-3-1-2-7(4-8)5-9(11)6-12;/h1-4,9,12H,5-6,11H2;1H/t9-;/m0./s1
InChIKeyOEYUZHLEVQCMOW-FVGYRXGTSA-N
MW266.57 g/mol
LogP1.73
Rot. Bonds3

About (2S)-2-amino-3-(3-bromophenyl)propan-1-ol;hydrochloride

(2S)-2-amino-3-(3-bromophenyl)propan-1-ol;hydrochloride (PubChem CID 178200029) has the molecular formula C9H13BrClNO and a molecular weight of 266.57 g/mol. Its IUPAC name is (2S)-2-amino-3-(3-bromophenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-(3-bromophenyl)propan-1-ol;hydrochloride
PubChem CID178200029
Molecular FormulaC9H13BrClNO
Molecular Weight266.57 g/mol
Exact Mass264.99
IUPAC Name(2S)-2-amino-3-(3-bromophenyl)propan-1-ol;hydrochloride
SMILESCl.N[C@H](CO)Cc1cccc(Br)c1
InChIInChI=1S/C9H12BrNO.ClH/c10-8-3-1-2-7(4-8)5-9(11)6-12;/h1-4,9,12H,5-6,11H2;1H/t9-;/m0./s1
InChIKeyOEYUZHLEVQCMOW-FVGYRXGTSA-N
XLogP1.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.57
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
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1-(3-bromophenyl)-3-pyrrolidin-1-ylpropan-2-amine
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(3-bromophenyl)propan-1-ol;hydrochloride?
The IUPAC name of (2S)-2-amino-3-(3-bromophenyl)propan-1-ol;hydrochloride (CID 178200029) is (2S)-2-amino-3-(3-bromophenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-(3-bromophenyl)propan-1-ol;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-(3-bromophenyl)propan-1-ol;hydrochloride is Cl.N[C@H](CO)Cc1cccc(Br)c1.
What is the InChIKey of (2S)-2-amino-3-(3-bromophenyl)propan-1-ol;hydrochloride?
The InChIKey is OEYUZHLEVQCMOW-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H12BrNO.ClH/c10-8-3-1-2-7(4-8)5-9(11)6-12;/h1-4,9,12H,5-6,11H2;1H/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-3-(3-bromophenyl)propan-1-ol;hydrochloride?
(2S)-2-amino-3-(3-bromophenyl)propan-1-ol;hydrochloride has a molecular weight of 266.57 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(3-bromophenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 178200029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).