2-(4-aminobutan-2-yl)-6-bromo-3-fluorophenol

C10H13BrFNO — CID 117409448

IUPAC2-(4-aminobutan-2-yl)-6-bromo-3-fluorophenol
SMILESCC(CCN)c1c(F)ccc(Br)c1O
InChIInChI=1S/C10H13BrFNO/c1-6(4-5-13)9-8(12)3-2-7(11)10(9)14/h2-3,6,14H,4-5,13H2,1H3
InChIKeyXAYSZZHSYCLFLS-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.75
Rot. Bonds3

About 2-(4-aminobutan-2-yl)-6-bromo-3-fluorophenol

2-(4-aminobutan-2-yl)-6-bromo-3-fluorophenol (PubChem CID 117409448) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is 2-(4-aminobutan-2-yl)-6-bromo-3-fluorophenol.

Molecular Properties

Compound Name2-(4-aminobutan-2-yl)-6-bromo-3-fluorophenol
PubChem CID117409448
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name2-(4-aminobutan-2-yl)-6-bromo-3-fluorophenol
SMILESCC(CCN)c1c(F)ccc(Br)c1O
InChIInChI=1S/C10H13BrFNO/c1-6(4-5-13)9-8(12)3-2-7(11)10(9)14/h2-3,6,14H,4-5,13H2,1H3
InChIKeyXAYSZZHSYCLFLS-UHFFFAOYSA-N
XLogP2.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-aminobutan-2-yl)-6-bromo-3-fluorophenol 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

2-(3-amino-1-hydroxypropyl)-6-bromo-3-fluorophenol
CID 84711168
2-[(1R)-1-amino-3-methylbutyl]-6-bromo-3-fluorophenol;hydrochloride
CID 171256863
2-[(1S)-1-amino-2-fluoroethyl]-6-bromo-3-fluorophenol
CID 130934021
2-[(1R)-1-aminoethyl]-3-bromo-6-fluorophenol
CID 130885199
2-(3-bromo-2,6-difluorophenyl)propan-1-amine
CID 106943854
3-(4-aminobutan-2-yl)-4-bromo-2-fluoro-6-methoxyphenol
CID 117471634
6-bromo-3-fluoro-2-[(1R)-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171300463
2-[(1R)-1,3-diaminopropyl]-3-fluoro-6-methylphenol;hydrochloride
CID 171257321
3,6-difluoro-2-(1-hydroxypropan-2-yl)phenol
CID 117281030
3-(4-aminobutan-2-yl)-5-bromo-4-fluoro-2-methoxyphenol
CID 117471638
5-(4-aminobutan-2-yl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117486416
4-(4-aminobutan-2-yl)-2-bromo-6-fluorobenzene-1,3-diol
CID 84811290

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutan-2-yl)-6-bromo-3-fluorophenol?
The IUPAC name of 2-(4-aminobutan-2-yl)-6-bromo-3-fluorophenol (CID 117409448) is 2-(4-aminobutan-2-yl)-6-bromo-3-fluorophenol.
What is the SMILES notation for 2-(4-aminobutan-2-yl)-6-bromo-3-fluorophenol?
The canonical SMILES for 2-(4-aminobutan-2-yl)-6-bromo-3-fluorophenol is CC(CCN)c1c(F)ccc(Br)c1O.
What is the InChIKey of 2-(4-aminobutan-2-yl)-6-bromo-3-fluorophenol?
The InChIKey is XAYSZZHSYCLFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c1-6(4-5-13)9-8(12)3-2-7(11)10(9)14/h2-3,6,14H,4-5,13H2,1H3.
What are the key properties of 2-(4-aminobutan-2-yl)-6-bromo-3-fluorophenol?
2-(4-aminobutan-2-yl)-6-bromo-3-fluorophenol has a molecular weight of 262.12 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutan-2-yl)-6-bromo-3-fluorophenol is sourced from PubChem (CID 117409448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).