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

C10H13BrFNO — CID 81436992

IUPAC2-amino-1-(4-bromo-3-fluorophenyl)butan-1-ol
SMILESCCC(N)C(O)c1ccc(Br)c(F)c1
InChIInChI=1S/C10H13BrFNO/c1-2-9(13)10(14)6-3-4-7(11)8(12)5-6/h3-5,9-10,14H,2,13H2,1H3
InChIKeyWDMINUOBKJVRNF-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.36
Rot. Bonds3

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

2-amino-1-(4-bromo-3-fluorophenyl)butan-1-ol (PubChem CID 81436992) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is 2-amino-1-(4-bromo-3-fluorophenyl)butan-1-ol.

Molecular Properties

Compound Name2-amino-1-(4-bromo-3-fluorophenyl)butan-1-ol
PubChem CID81436992
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name2-amino-1-(4-bromo-3-fluorophenyl)butan-1-ol
SMILESCCC(N)C(O)c1ccc(Br)c(F)c1
InChIInChI=1S/C10H13BrFNO/c1-2-9(13)10(14)6-3-4-7(11)8(12)5-6/h3-5,9-10,14H,2,13H2,1H3
InChIKeyWDMINUOBKJVRNF-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(4-bromo-3-fluorophenyl)-4-methylpentan-1-ol
CID 81437103
(1S,2S)-2-amino-1-(3-amino-4-fluorophenyl)butan-1-ol
CID 131049371
5-(2-amino-1-hydroxybutyl)-2-fluorophenol
CID 123621171
(1S,2R)-1-amino-1-(4-bromo-3-fluorophenyl)pentan-2-ol
CID 171267227
(1S)-1-(4-bromo-3-fluorophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171221336
1-bromo-4-[(2S)-butan-2-yl]-2-fluorobenzene
CID 153332149
1-(4-bromo-3-fluorophenyl)-2,2-dichloroethanol
CID 164892190
(1S)-1-(4-bromo-3-fluorophenyl)-2-methylpropan-1-amine
CID 131093458
ethyl 4-(4-bromo-3-fluorophenyl)-3,4-dihydroxybutanoate
CID 171898467
2-amino-1-(3-bromophenyl)butan-1-ol
CID 43566135
(1S)-1-(4-bromo-3-fluorophenyl)butan-1-amine
CID 130730633
1-(4-bromo-3-fluorophenyl)-3-(methylamino)propane-1,2-diol
CID 171859019

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-bromo-3-fluorophenyl)butan-1-ol?
The IUPAC name of 2-amino-1-(4-bromo-3-fluorophenyl)butan-1-ol (CID 81436992) is 2-amino-1-(4-bromo-3-fluorophenyl)butan-1-ol.
What is the SMILES notation for 2-amino-1-(4-bromo-3-fluorophenyl)butan-1-ol?
The canonical SMILES for 2-amino-1-(4-bromo-3-fluorophenyl)butan-1-ol is CCC(N)C(O)c1ccc(Br)c(F)c1.
What is the InChIKey of 2-amino-1-(4-bromo-3-fluorophenyl)butan-1-ol?
The InChIKey is WDMINUOBKJVRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c1-2-9(13)10(14)6-3-4-7(11)8(12)5-6/h3-5,9-10,14H,2,13H2,1H3.
What are the key properties of 2-amino-1-(4-bromo-3-fluorophenyl)butan-1-ol?
2-amino-1-(4-bromo-3-fluorophenyl)butan-1-ol has a molecular weight of 262.12 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-bromo-3-fluorophenyl)butan-1-ol is sourced from PubChem (CID 81436992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).