2-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-5-bromophenol

C11H14BrNO2 — CID 171262376

IUPAC2-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-5-bromophenol
SMILESN[C@H](c1ccc(Br)cc1O)[C@@H](O)C1CC1
InChIInChI=1S/C11H14BrNO2/c12-7-3-4-8(9(14)5-7)10(13)11(15)6-1-2-6/h3-6,10-11,14-15H,1-2,13H2/t10-,11+/m1/s1
InChIKeyVYKJCECCAFTKCS-MNOVXSKESA-N
MW272.14 g/mol
LogP1.93
Rot. Bonds3

About 2-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-5-bromophenol

2-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-5-bromophenol (PubChem CID 171262376) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 2-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-5-bromophenol.

Molecular Properties

Compound Name2-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-5-bromophenol
PubChem CID171262376
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name2-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-5-bromophenol
SMILESN[C@H](c1ccc(Br)cc1O)[C@@H](O)C1CC1
InChIInChI=1S/C11H14BrNO2/c12-7-3-4-8(9(14)5-7)10(13)11(15)6-1-2-6/h3-6,10-11,14-15H,1-2,13H2/t10-,11+/m1/s1
InChIKeyVYKJCECCAFTKCS-MNOVXSKESA-N
XLogP1.93
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1S,2S)-1-amino-2-hydroxypropyl]-5-bromophenol
CID 130691450
2-[(R)-amino(cyclobutyl)methyl]-5-bromophenol
CID 130901915
5-bromo-2-[(1S,2S)-1,2-diaminopropyl]phenol
CID 130863037
2-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]-4,6-dibromophenol
CID 171266417
2-[(1R,2S)-1-amino-2-hydroxybutyl]-5-bromophenol
CID 130715024
2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-5-methylphenol;hydrochloride
CID 171270298
5-bromo-2-[(1S)-1-hydroxyethyl]phenol
CID 102949153
4-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]naphthalen-1-ol
CID 171269425
2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-5-methoxyphenol
CID 171261289
(1R,2S)-2-amino-2-(5-bromo-2-ethoxyphenyl)-1-cyclobutylethanol
CID 171268602
2-[(1S,2R)-1-amino-2-hydroxyhexyl]-5-bromophenol;hydrochloride
CID 171268073
(1S,2R)-2-amino-1-cyclopropyl-2-(2,4-difluorophenyl)ethanol
CID 171160265

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-5-bromophenol?
The IUPAC name of 2-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-5-bromophenol (CID 171262376) is 2-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-5-bromophenol.
What is the SMILES notation for 2-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-5-bromophenol?
The canonical SMILES for 2-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-5-bromophenol is N[C@H](c1ccc(Br)cc1O)[C@@H](O)C1CC1.
What is the InChIKey of 2-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-5-bromophenol?
The InChIKey is VYKJCECCAFTKCS-MNOVXSKESA-N. The full InChI is InChI=1S/C11H14BrNO2/c12-7-3-4-8(9(14)5-7)10(13)11(15)6-1-2-6/h3-6,10-11,14-15H,1-2,13H2/t10-,11+/m1/s1.
What are the key properties of 2-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-5-bromophenol?
2-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-5-bromophenol has a molecular weight of 272.14 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-5-bromophenol is sourced from PubChem (CID 171262376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).