4-amino-1-(5-bromo-2-fluorophenyl)-2-(methylamino)butan-1-ol

C11H16BrFN2O — CID 83933860

IUPAC4-amino-1-(5-bromo-2-fluorophenyl)-2-(methylamino)butan-1-ol
SMILESCNC(CCN)C(O)c1cc(Br)ccc1F
InChIInChI=1S/C11H16BrFN2O/c1-15-10(4-5-14)11(16)8-6-7(12)2-3-9(8)13/h2-3,6,10-11,15-16H,4-5,14H2,1H3
InChIKeyRIIQCICLOWPNND-UHFFFAOYSA-N
MW291.16 g/mol
LogP1.56
Rot. Bonds5

About 4-amino-1-(5-bromo-2-fluorophenyl)-2-(methylamino)butan-1-ol

4-amino-1-(5-bromo-2-fluorophenyl)-2-(methylamino)butan-1-ol (PubChem CID 83933860) has the molecular formula C11H16BrFN2O and a molecular weight of 291.16 g/mol. Its IUPAC name is 4-amino-1-(5-bromo-2-fluorophenyl)-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-amino-1-(5-bromo-2-fluorophenyl)-2-(methylamino)butan-1-ol
PubChem CID83933860
Molecular FormulaC11H16BrFN2O
Molecular Weight291.16 g/mol
Exact Mass290.04
IUPAC Name4-amino-1-(5-bromo-2-fluorophenyl)-2-(methylamino)butan-1-ol
SMILESCNC(CCN)C(O)c1cc(Br)ccc1F
InChIInChI=1S/C11H16BrFN2O/c1-15-10(4-5-14)11(16)8-6-7(12)2-3-9(8)13/h2-3,6,10-11,15-16H,4-5,14H2,1H3
InChIKeyRIIQCICLOWPNND-UHFFFAOYSA-N
XLogP1.56
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.16
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-diamino-1-(5-bromo-2-fluorophenyl)butan-1-ol
CID 83933858
CID 87630182
CID 87630182
2-amino-1-(5-bromo-2-fluorophenyl)butane-1,4-diol
CID 83933857
4-amino-1-(2-fluoro-4,5-dipropoxyphenyl)-2-(methylamino)butan-1-ol
CID 83923208
(2S)-2-(5-bromo-2-fluorophenyl)-2-(methylamino)acetonitrile
CID 51675216
amino-(5-bromo-2-fluorophenyl)methanol
CID 116939684
1-(5-bromo-2-fluorophenyl)-N'-methylbutane-1,4-diamine
CID 116933922
1-(5-bromo-2-fluorophenyl)-2-methoxypropan-1-ol
CID 79743530
1-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol
CID 83933928
1-(5-bromo-2-fluorophenyl)-3-methoxy-2-methylpropan-1-ol
CID 115624906
methyl 2-[(5-bromo-2-fluorophenyl)-hydroxymethyl]-3-methylbutanoate
CID 55071559
4-amino-1-(3-bromo-4-ethoxyphenyl)-2-(methylamino)butan-1-ol
CID 83926197

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(5-bromo-2-fluorophenyl)-2-(methylamino)butan-1-ol?
The IUPAC name of 4-amino-1-(5-bromo-2-fluorophenyl)-2-(methylamino)butan-1-ol (CID 83933860) is 4-amino-1-(5-bromo-2-fluorophenyl)-2-(methylamino)butan-1-ol.
What is the SMILES notation for 4-amino-1-(5-bromo-2-fluorophenyl)-2-(methylamino)butan-1-ol?
The canonical SMILES for 4-amino-1-(5-bromo-2-fluorophenyl)-2-(methylamino)butan-1-ol is CNC(CCN)C(O)c1cc(Br)ccc1F.
What is the InChIKey of 4-amino-1-(5-bromo-2-fluorophenyl)-2-(methylamino)butan-1-ol?
The InChIKey is RIIQCICLOWPNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrFN2O/c1-15-10(4-5-14)11(16)8-6-7(12)2-3-9(8)13/h2-3,6,10-11,15-16H,4-5,14H2,1H3.
What are the key properties of 4-amino-1-(5-bromo-2-fluorophenyl)-2-(methylamino)butan-1-ol?
4-amino-1-(5-bromo-2-fluorophenyl)-2-(methylamino)butan-1-ol has a molecular weight of 291.16 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(5-bromo-2-fluorophenyl)-2-(methylamino)butan-1-ol is sourced from PubChem (CID 83933860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).