1-(4-bromo-3-fluorophenyl)-3-(methylamino)propane-1,2-diol

C10H13BrFNO2 — CID 171859019

IUPAC1-(4-bromo-3-fluorophenyl)-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1ccc(Br)c(F)c1
InChIInChI=1S/C10H13BrFNO2/c1-13-5-9(14)10(15)6-2-3-7(11)8(12)4-6/h2-4,9-10,13-15H,5H2,1H3
InChIKeyHPYUWIQCQIXADS-UHFFFAOYSA-N
MW278.12 g/mol
LogP1.20
Rot. Bonds4

About 1-(4-bromo-3-fluorophenyl)-3-(methylamino)propane-1,2-diol

1-(4-bromo-3-fluorophenyl)-3-(methylamino)propane-1,2-diol (PubChem CID 171859019) has the molecular formula C10H13BrFNO2 and a molecular weight of 278.12 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-3-(methylamino)propane-1,2-diol.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-3-(methylamino)propane-1,2-diol
PubChem CID171859019
Molecular FormulaC10H13BrFNO2
Molecular Weight278.12 g/mol
Exact Mass277.01
IUPAC Name1-(4-bromo-3-fluorophenyl)-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1ccc(Br)c(F)c1
InChIInChI=1S/C10H13BrFNO2/c1-13-5-9(14)10(15)6-2-3-7(11)8(12)4-6/h2-4,9-10,13-15H,5H2,1H3
InChIKeyHPYUWIQCQIXADS-UHFFFAOYSA-N
XLogP1.20
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.12
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-3-fluorophenyl)-3-(methylamino)propane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluoro-4-hydrazinylphenyl)-3-(methylamino)propane-1,2-diol
CID 171857917
1-(3-bromo-4-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859158
2-amino-1-(4-bromo-3-fluorophenyl)butan-1-ol
CID 81436992
1-(4-bromo-3-fluorophenyl)-2,2-dichloroethanol
CID 164892190
ethyl 4-(4-bromo-3-fluorophenyl)-3,4-dihydroxybutanoate
CID 171898467
1-(4-bromo-3-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 81442005
1-[3-amino-4-(trifluoromethyl)phenyl]-3-(methylamino)propane-1,2-diol
CID 171858594
1-[3-(difluoromethyl)phenyl]-3-(methylamino)propane-1,2-diol
CID 171857797
2-amino-1-(4-bromo-3-fluorophenyl)-4-methylpentan-1-ol
CID 81437103
4-azido-1-(4-bromo-3-fluorophenyl)butane-1,2-diol
CID 171880550
1-(4-aminophenyl)-3-(methylamino)propane-1,2-diol
CID 171857462
1-(3,4-difluorophenyl)-4-(methylamino)butane-1,2-diol
CID 171889799

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-3-(methylamino)propane-1,2-diol?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-3-(methylamino)propane-1,2-diol (CID 171859019) is 1-(4-bromo-3-fluorophenyl)-3-(methylamino)propane-1,2-diol.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-3-(methylamino)propane-1,2-diol?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-3-(methylamino)propane-1,2-diol is CNCC(O)C(O)c1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-3-(methylamino)propane-1,2-diol?
The InChIKey is HPYUWIQCQIXADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO2/c1-13-5-9(14)10(15)6-2-3-7(11)8(12)4-6/h2-4,9-10,13-15H,5H2,1H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-3-(methylamino)propane-1,2-diol?
1-(4-bromo-3-fluorophenyl)-3-(methylamino)propane-1,2-diol has a molecular weight of 278.12 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-3-(methylamino)propane-1,2-diol is sourced from PubChem (CID 171859019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).