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

C12H17BrFNO — CID 81437103

IUPAC2-amino-1-(4-bromo-3-fluorophenyl)-4-methylpentan-1-ol
SMILESCC(C)CC(N)C(O)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H17BrFNO/c1-7(2)5-11(15)12(16)8-3-4-9(13)10(14)6-8/h3-4,6-7,11-12,16H,5,15H2,1-2H3
InChIKeyUVNKAXGWQAMFFN-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.99
Rot. Bonds4

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

2-amino-1-(4-bromo-3-fluorophenyl)-4-methylpentan-1-ol (PubChem CID 81437103) has the molecular formula C12H17BrFNO and a molecular weight of 290.18 g/mol. Its IUPAC name is 2-amino-1-(4-bromo-3-fluorophenyl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-amino-1-(4-bromo-3-fluorophenyl)-4-methylpentan-1-ol
PubChem CID81437103
Molecular FormulaC12H17BrFNO
Molecular Weight290.18 g/mol
Exact Mass289.05
IUPAC Name2-amino-1-(4-bromo-3-fluorophenyl)-4-methylpentan-1-ol
SMILESCC(C)CC(N)C(O)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H17BrFNO/c1-7(2)5-11(15)12(16)8-3-4-9(13)10(14)6-8/h3-4,6-7,11-12,16H,5,15H2,1-2H3
InChIKeyUVNKAXGWQAMFFN-UHFFFAOYSA-N
XLogP2.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(4-bromo-3-fluorophenyl)butan-1-ol
CID 81436992
2-amino-1-(4-bromo-3-methylphenyl)-4-methylpentan-1-ol
CID 66480993
2-amino-1-(3-chloro-4-fluorophenyl)-4-methylpentan-1-ol
CID 81152208
(1S)-1-(4-bromo-3-fluorophenyl)-2-methylpropan-1-amine
CID 131093458
(1S,2R)-1-amino-1-(4-bromo-3-fluorophenyl)-5-methylhexan-2-ol
CID 171267231
2-amino-4-methyl-1-(4-propan-2-ylphenyl)pentan-1-ol
CID 62763785
1-(4-bromo-3-fluorophenyl)-2,2-dichloroethanol
CID 164892190
1-(4-bromo-3-fluorophenyl)-3-(methylamino)propane-1,2-diol
CID 171859019
2-(4-bromo-3-fluorophenyl)propan-1-ol
CID 117337341
(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
ethyl 4-(4-bromo-3-fluorophenyl)-3,4-dihydroxybutanoate
CID 171898467

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-bromo-3-fluorophenyl)-4-methylpentan-1-ol?
The IUPAC name of 2-amino-1-(4-bromo-3-fluorophenyl)-4-methylpentan-1-ol (CID 81437103) is 2-amino-1-(4-bromo-3-fluorophenyl)-4-methylpentan-1-ol.
What is the SMILES notation for 2-amino-1-(4-bromo-3-fluorophenyl)-4-methylpentan-1-ol?
The canonical SMILES for 2-amino-1-(4-bromo-3-fluorophenyl)-4-methylpentan-1-ol is CC(C)CC(N)C(O)c1ccc(Br)c(F)c1.
What is the InChIKey of 2-amino-1-(4-bromo-3-fluorophenyl)-4-methylpentan-1-ol?
The InChIKey is UVNKAXGWQAMFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNO/c1-7(2)5-11(15)12(16)8-3-4-9(13)10(14)6-8/h3-4,6-7,11-12,16H,5,15H2,1-2H3.
What are the key properties of 2-amino-1-(4-bromo-3-fluorophenyl)-4-methylpentan-1-ol?
2-amino-1-(4-bromo-3-fluorophenyl)-4-methylpentan-1-ol has a molecular weight of 290.18 g/mol, XLogP of 2.99, 4 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)-4-methylpentan-1-ol is sourced from PubChem (CID 81437103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).