2,4-diamino-1-(5-bromo-2-fluorophenyl)butan-1-ol

C10H14BrFN2O — CID 83933858

IUPAC2,4-diamino-1-(5-bromo-2-fluorophenyl)butan-1-ol
SMILESNCCC(N)C(O)c1cc(Br)ccc1F
InChIInChI=1S/C10H14BrFN2O/c11-6-1-2-8(12)7(5-6)10(15)9(14)3-4-13/h1-2,5,9-10,15H,3-4,13-14H2
InChIKeyCBXFQSORTYNYPG-UHFFFAOYSA-N
MW277.14 g/mol
LogP1.30
Rot. Bonds4

About 2,4-diamino-1-(5-bromo-2-fluorophenyl)butan-1-ol

2,4-diamino-1-(5-bromo-2-fluorophenyl)butan-1-ol (PubChem CID 83933858) has the molecular formula C10H14BrFN2O and a molecular weight of 277.14 g/mol. Its IUPAC name is 2,4-diamino-1-(5-bromo-2-fluorophenyl)butan-1-ol.

Molecular Properties

Compound Name2,4-diamino-1-(5-bromo-2-fluorophenyl)butan-1-ol
PubChem CID83933858
Molecular FormulaC10H14BrFN2O
Molecular Weight277.14 g/mol
Exact Mass276.03
IUPAC Name2,4-diamino-1-(5-bromo-2-fluorophenyl)butan-1-ol
SMILESNCCC(N)C(O)c1cc(Br)ccc1F
InChIInChI=1S/C10H14BrFN2O/c11-6-1-2-8(12)7(5-6)10(15)9(14)3-4-13/h1-2,5,9-10,15H,3-4,13-14H2
InChIKeyCBXFQSORTYNYPG-UHFFFAOYSA-N
XLogP1.30
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.14
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(5-bromo-2-fluorophenyl)butane-1,4-diol
CID 83933857
4-amino-1-(5-bromo-2-fluorophenyl)-2-(methylamino)butan-1-ol
CID 83933860
amino-(5-bromo-2-fluorophenyl)methanol
CID 116939684
CID 87630182
CID 87630182
(1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171200599
2-amino-1-(4-bromo-2-fluorophenyl)propane-1,3-diol
CID 66204529
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)propan-1-ol;hydrochloride
CID 171220171
1-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol
CID 83933928
1-(5-bromo-2-fluorophenyl)-2-chloroethanol
CID 83001576
1-(5-bromo-2-fluorophenyl)-2-methoxypropan-1-ol
CID 79743530
1-(5-bromo-2-fluorophenyl)-3-methoxy-2-methylpropan-1-ol
CID 115624906
4-bromo-2-(difluoromethyl)-1-fluorobenzene
CID 2761161

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-1-(5-bromo-2-fluorophenyl)butan-1-ol?
The IUPAC name of 2,4-diamino-1-(5-bromo-2-fluorophenyl)butan-1-ol (CID 83933858) is 2,4-diamino-1-(5-bromo-2-fluorophenyl)butan-1-ol.
What is the SMILES notation for 2,4-diamino-1-(5-bromo-2-fluorophenyl)butan-1-ol?
The canonical SMILES for 2,4-diamino-1-(5-bromo-2-fluorophenyl)butan-1-ol is NCCC(N)C(O)c1cc(Br)ccc1F.
What is the InChIKey of 2,4-diamino-1-(5-bromo-2-fluorophenyl)butan-1-ol?
The InChIKey is CBXFQSORTYNYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN2O/c11-6-1-2-8(12)7(5-6)10(15)9(14)3-4-13/h1-2,5,9-10,15H,3-4,13-14H2.
What are the key properties of 2,4-diamino-1-(5-bromo-2-fluorophenyl)butan-1-ol?
2,4-diamino-1-(5-bromo-2-fluorophenyl)butan-1-ol has a molecular weight of 277.14 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-1-(5-bromo-2-fluorophenyl)butan-1-ol is sourced from PubChem (CID 83933858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).