3-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol

C9H11BrFNO — CID 65184403

IUPAC3-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol
SMILESNCCC(O)c1cc(Br)ccc1F
InChIInChI=1S/C9H11BrFNO/c10-6-1-2-8(11)7(5-6)9(13)3-4-12/h1-2,5,9,13H,3-4,12H2
InChIKeyAWODCMRFUXKCBK-UHFFFAOYSA-N
MW248.09 g/mol
LogP1.97
Rot. Bonds3

About 3-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol

3-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol (PubChem CID 65184403) has the molecular formula C9H11BrFNO and a molecular weight of 248.09 g/mol. Its IUPAC name is 3-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol
PubChem CID65184403
Molecular FormulaC9H11BrFNO
Molecular Weight248.09 g/mol
Exact Mass247.00
IUPAC Name3-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol
SMILESNCCC(O)c1cc(Br)ccc1F
InChIInChI=1S/C9H11BrFNO/c10-6-1-2-8(11)7(5-6)9(13)3-4-12/h1-2,5,9,13H,3-4,12H2
InChIKeyAWODCMRFUXKCBK-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

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CID 9827
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CID 60903220
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
2-Amino-1-(4-fluorophenyl)ethan-1-ol--hydrogen chloride (1/1)
CID 9826
(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

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol (CID 65184403) is 3-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol is NCCC(O)c1cc(Br)ccc1F.
What is the InChIKey of 3-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol?
The InChIKey is AWODCMRFUXKCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO/c10-6-1-2-8(11)7(5-6)9(13)3-4-12/h1-2,5,9,13H,3-4,12H2.
What are the key properties of 3-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol?
3-amino-1-(5-bromo-2-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-(5-bromo-2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 65184403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).