(1S,2S)-1-amino-1-[5-bromo-2-(hydroxymethyl)phenyl]propan-2-ol

C10H14BrNO2 — CID 130632072

IUPAC(1S,2S)-1-amino-1-[5-bromo-2-(hydroxymethyl)phenyl]propan-2-ol
SMILESC[C@H](O)[C@@H](N)c1cc(Br)ccc1CO
InChIInChI=1S/C10H14BrNO2/c1-6(14)10(12)9-4-8(11)3-2-7(9)5-13/h2-4,6,10,13-14H,5,12H2,1H3/t6-,10+/m0/s1
InChIKeyVMCCVEQIBDBUNB-QUBYGPBYSA-N
MW260.13 g/mol
LogP1.32
Rot. Bonds3

About (1S,2S)-1-amino-1-[5-bromo-2-(hydroxymethyl)phenyl]propan-2-ol

(1S,2S)-1-amino-1-[5-bromo-2-(hydroxymethyl)phenyl]propan-2-ol (PubChem CID 130632072) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is (1S,2S)-1-amino-1-[5-bromo-2-(hydroxymethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-amino-1-[5-bromo-2-(hydroxymethyl)phenyl]propan-2-ol
PubChem CID130632072
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name(1S,2S)-1-amino-1-[5-bromo-2-(hydroxymethyl)phenyl]propan-2-ol
SMILESC[C@H](O)[C@@H](N)c1cc(Br)ccc1CO
InChIInChI=1S/C10H14BrNO2/c1-6(14)10(12)9-4-8(11)3-2-7(9)5-13/h2-4,6,10,13-14H,5,12H2,1H3/t6-,10+/m0/s1
InChIKeyVMCCVEQIBDBUNB-QUBYGPBYSA-N
XLogP1.32
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-1-amino-1-(2,5-dibromophenyl)propan-2-ol;hydrochloride
CID 171271433
(1S,2R)-1-amino-1-(5-bromo-2-chlorophenyl)propan-2-ol
CID 130649262
(1R,2R)-1-amino-1-[2-(hydroxymethyl)phenyl]propan-2-ol
CID 131209275
1-amino-1-(2,4-dibromophenyl)propan-2-ol
CID 130041715
(1R)-1-amino-1-(2-amino-4-bromophenyl)propan-2-ol
CID 130943677
2-[(1S,2S)-1-amino-2-hydroxypropyl]-5-bromophenol
CID 130691450
(1R,2S)-1-amino-1-(4-bromo-2-methoxyphenyl)propan-2-ol
CID 130727947
3-[(1S)-1-amino-2-hydroxypropyl]-4-ethylphenol
CID 131128646
2-[(1R,2S)-1-amino-2-hydroxypropyl]-4,6-dibromophenol
CID 130990105
(1R,2R)-1-amino-1-(4-bromophenyl)propan-2-ol
CID 59069368
[5-bromo-2-[1-(methylamino)ethyl]phenyl]methanol
CID 84802533
1-(2-amino-5-bromophenyl)ethanol
CID 68865052

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-amino-1-[5-bromo-2-(hydroxymethyl)phenyl]propan-2-ol?
The IUPAC name of (1S,2S)-1-amino-1-[5-bromo-2-(hydroxymethyl)phenyl]propan-2-ol (CID 130632072) is (1S,2S)-1-amino-1-[5-bromo-2-(hydroxymethyl)phenyl]propan-2-ol.
What is the SMILES notation for (1S,2S)-1-amino-1-[5-bromo-2-(hydroxymethyl)phenyl]propan-2-ol?
The canonical SMILES for (1S,2S)-1-amino-1-[5-bromo-2-(hydroxymethyl)phenyl]propan-2-ol is C[C@H](O)[C@@H](N)c1cc(Br)ccc1CO.
What is the InChIKey of (1S,2S)-1-amino-1-[5-bromo-2-(hydroxymethyl)phenyl]propan-2-ol?
The InChIKey is VMCCVEQIBDBUNB-QUBYGPBYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-6(14)10(12)9-4-8(11)3-2-7(9)5-13/h2-4,6,10,13-14H,5,12H2,1H3/t6-,10+/m0/s1.
What are the key properties of (1S,2S)-1-amino-1-[5-bromo-2-(hydroxymethyl)phenyl]propan-2-ol?
(1S,2S)-1-amino-1-[5-bromo-2-(hydroxymethyl)phenyl]propan-2-ol has a molecular weight of 260.13 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-amino-1-[5-bromo-2-(hydroxymethyl)phenyl]propan-2-ol is sourced from PubChem (CID 130632072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).