3-amino-1-(3-bromo-5-fluorophenyl)propan-1-ol

C9H11BrFNO — CID 65184859

IUPAC3-amino-1-(3-bromo-5-fluorophenyl)propan-1-ol
SMILESNCCC(O)c1cc(F)cc(Br)c1
InChIInChI=1S/C9H11BrFNO/c10-7-3-6(4-8(11)5-7)9(13)1-2-12/h3-5,9,13H,1-2,12H2
InChIKeyLTKZXVAVIYLNSF-UHFFFAOYSA-N
MW248.09 g/mol
LogP1.97
Rot. Bonds3

About 3-amino-1-(3-bromo-5-fluorophenyl)propan-1-ol

3-amino-1-(3-bromo-5-fluorophenyl)propan-1-ol (PubChem CID 65184859) has the molecular formula C9H11BrFNO and a molecular weight of 248.09 g/mol. Its IUPAC name is 3-amino-1-(3-bromo-5-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-bromo-5-fluorophenyl)propan-1-ol
PubChem CID65184859
Molecular FormulaC9H11BrFNO
Molecular Weight248.09 g/mol
Exact Mass247.00
IUPAC Name3-amino-1-(3-bromo-5-fluorophenyl)propan-1-ol
SMILESNCCC(O)c1cc(F)cc(Br)c1
InChIInChI=1S/C9H11BrFNO/c10-7-3-6(4-8(11)5-7)9(13)1-2-12/h3-5,9,13H,1-2,12H2
InChIKeyLTKZXVAVIYLNSF-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

2-Amino-1-(4-fluorophenyl)ethan-1-ol
CID 9827
2-Amino-1-(3-fluorophenyl)ethan-1-ol
CID 35800
3-Amino-1-phenylpropan-1-ol
CID 121548
2-Amino-1-(2-bromophenyl)ethan-1-ol
CID 12474014
(1S)-3-amino-1-phenylpropan-1-ol
CID 10975675
(1R)-3-amino-1-phenylpropan-1-ol
CID 11182697
2-Amino-1-(2-fluorophenyl)ethan-1-ol
CID 15067176
2-Amino-1-(4-bromophenyl)propan-1-ol
CID 19422955
1-(3-Bromophenyl)-2-(methylamino)ethan-1-ol
CID 21943451
3-Amino-1-(4-fluorophenyl)propan-1-ol
CID 17788247
3-Amino-1-(4-bromophenyl)propan-1-ol
CID 56686930
Benzyl alcohol, alpha-(aminomethyl)-m-fluoro-, hydrobromide
CID 35799

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-bromo-5-fluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(3-bromo-5-fluorophenyl)propan-1-ol (CID 65184859) is 3-amino-1-(3-bromo-5-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3-bromo-5-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3-bromo-5-fluorophenyl)propan-1-ol is NCCC(O)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-amino-1-(3-bromo-5-fluorophenyl)propan-1-ol?
The InChIKey is LTKZXVAVIYLNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO/c10-7-3-6(4-8(11)5-7)9(13)1-2-12/h3-5,9,13H,1-2,12H2.
What are the key properties of 3-amino-1-(3-bromo-5-fluorophenyl)propan-1-ol?
3-amino-1-(3-bromo-5-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-1-(3-bromo-5-fluorophenyl)propan-1-ol is sourced from PubChem (CID 65184859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).