3-amino-3-(2-bromo-4-fluorophenyl)propan-1-ol

C9H11BrFNO — CID 84706428

IUPAC3-amino-3-(2-bromo-4-fluorophenyl)propan-1-ol
SMILESNC(CCO)c1ccc(F)cc1Br
InChIInChI=1S/C9H11BrFNO/c10-8-5-6(11)1-2-7(8)9(12)3-4-13/h1-2,5,9,13H,3-4,12H2
InChIKeyLTHGOFHUOISGHS-UHFFFAOYSA-N
MW248.09 g/mol
LogP1.97
Rot. Bonds3

About 3-amino-3-(2-bromo-4-fluorophenyl)propan-1-ol

3-amino-3-(2-bromo-4-fluorophenyl)propan-1-ol (PubChem CID 84706428) has the molecular formula C9H11BrFNO and a molecular weight of 248.09 g/mol. Its IUPAC name is 3-amino-3-(2-bromo-4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(2-bromo-4-fluorophenyl)propan-1-ol
PubChem CID84706428
Molecular FormulaC9H11BrFNO
Molecular Weight248.09 g/mol
Exact Mass247.00
IUPAC Name3-amino-3-(2-bromo-4-fluorophenyl)propan-1-ol
SMILESNC(CCO)c1ccc(F)cc1Br
InChIInChI=1S/C9H11BrFNO/c10-8-5-6(11)1-2-7(8)9(12)3-4-13/h1-2,5,9,13H,3-4,12H2
InChIKeyLTHGOFHUOISGHS-UHFFFAOYSA-N
XLogP1.97
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.09
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-2-(2-bromo-4-fluorophenyl)ethanol;hydrochloride
CID 171201244
(3S)-3-amino-3-(2,4-difluorophenyl)propan-1-ol;hydrochloride
CID 126963755
(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine
CID 66517956
(1S)-1-(2-bromo-4-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171220750
(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171220747
(1R)-1-(2-bromo-4-fluorophenyl)pentan-1-amine;hydrochloride
CID 171201221
(3S)-3-amino-3-(2-chloro-5-fluorophenyl)propan-1-ol;hydrochloride
CID 171224218
(3R)-3-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 55264636
(3R)-3-amino-3-[2-bromo-4-(trifluoromethyl)phenyl]propan-1-ol
CID 131873275
(1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropan-1-amine
CID 131494650
2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-fluorophenol;hydrochloride
CID 171257013
1,2-bis(2-bromo-4-fluorophenyl)ethanamine
CID 115843294

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2-bromo-4-fluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-3-(2-bromo-4-fluorophenyl)propan-1-ol (CID 84706428) is 3-amino-3-(2-bromo-4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(2-bromo-4-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-3-(2-bromo-4-fluorophenyl)propan-1-ol is NC(CCO)c1ccc(F)cc1Br.
What is the InChIKey of 3-amino-3-(2-bromo-4-fluorophenyl)propan-1-ol?
The InChIKey is LTHGOFHUOISGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO/c10-8-5-6(11)1-2-7(8)9(12)3-4-13/h1-2,5,9,13H,3-4,12H2.
What are the key properties of 3-amino-3-(2-bromo-4-fluorophenyl)propan-1-ol?
3-amino-3-(2-bromo-4-fluorophenyl)propan-1-ol has a molecular weight of 248.09 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2-bromo-4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 84706428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).