3-(5-amino-2-bromophenoxy)propane-1,2-diol

C9H12BrNO3 — CID 103008699

IUPAC3-(5-amino-2-bromophenoxy)propane-1,2-diol
SMILESNc1ccc(Br)c(OCC(O)CO)c1
InChIInChI=1S/C9H12BrNO3/c10-8-2-1-6(11)3-9(8)14-5-7(13)4-12/h1-3,7,12-13H,4-5,11H2
InChIKeyUVHDRDFSCCBINT-UHFFFAOYSA-N
MW262.10 g/mol
LogP0.76
Rot. Bonds4

About 3-(5-amino-2-bromophenoxy)propane-1,2-diol

3-(5-amino-2-bromophenoxy)propane-1,2-diol (PubChem CID 103008699) has the molecular formula C9H12BrNO3 and a molecular weight of 262.10 g/mol. Its IUPAC name is 3-(5-amino-2-bromophenoxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(5-amino-2-bromophenoxy)propane-1,2-diol
PubChem CID103008699
Molecular FormulaC9H12BrNO3
Molecular Weight262.10 g/mol
Exact Mass261.00
IUPAC Name3-(5-amino-2-bromophenoxy)propane-1,2-diol
SMILESNc1ccc(Br)c(OCC(O)CO)c1
InChIInChI=1S/C9H12BrNO3/c10-8-2-1-6(11)3-9(8)14-5-7(13)4-12/h1-3,7,12-13H,4-5,11H2
InChIKeyUVHDRDFSCCBINT-UHFFFAOYSA-N
XLogP0.76
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.10
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-amino-2-methoxyphenoxy)propane-1,2-diol
CID 82842415
4-bromo-3-(2-methylbutoxy)aniline
CID 103008806
2,3-dihydroxypropyl 5-amino-2-bromobenzoate
CID 82850096
6-(5-amino-2-bromophenoxy)hexan-1-ol
CID 107702035
4-bromo-3-ethoxyaniline
CID 7015503
3-[3-amino-5-(2,3-dihydroxypropoxy)phenoxy]propane-1,2-diol
CID 70408589
4-bromo-3-(2,2,2-trifluoroethoxy)aniline
CID 99770357
4-bromo-3-[(2S)-2-hydroxybutoxy]benzamide
CID 167892759
1-amino-3-(2,4-diaminophenoxy)propan-2-ol
CID 19835524
4-bromo-3-(ethoxymethoxy)aniline
CID 103009022
3-(2-amino-5-methoxyphenoxy)propane-1,2-diol
CID 102702275
3-[(2-bromo-3-pyridinyl)oxy]propane-1,2-diol
CID 20607341

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-bromophenoxy)propane-1,2-diol?
The IUPAC name of 3-(5-amino-2-bromophenoxy)propane-1,2-diol (CID 103008699) is 3-(5-amino-2-bromophenoxy)propane-1,2-diol.
What is the SMILES notation for 3-(5-amino-2-bromophenoxy)propane-1,2-diol?
The canonical SMILES for 3-(5-amino-2-bromophenoxy)propane-1,2-diol is Nc1ccc(Br)c(OCC(O)CO)c1.
What is the InChIKey of 3-(5-amino-2-bromophenoxy)propane-1,2-diol?
The InChIKey is UVHDRDFSCCBINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO3/c10-8-2-1-6(11)3-9(8)14-5-7(13)4-12/h1-3,7,12-13H,4-5,11H2.
What are the key properties of 3-(5-amino-2-bromophenoxy)propane-1,2-diol?
3-(5-amino-2-bromophenoxy)propane-1,2-diol has a molecular weight of 262.10 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-bromophenoxy)propane-1,2-diol is sourced from PubChem (CID 103008699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).