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

C10H13BrFNO — CID 60734382

IUPAC3-amino-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol
SMILESCC(CN)C(O)c1ccc(Br)cc1F
InChIInChI=1S/C10H13BrFNO/c1-6(5-13)10(14)8-3-2-7(11)4-9(8)12/h2-4,6,10,14H,5,13H2,1H3
InChIKeyOCXJPTDLDXNBCE-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.22
Rot. Bonds3

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

3-amino-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol (PubChem CID 60734382) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is 3-amino-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol
PubChem CID60734382
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name3-amino-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol
SMILESCC(CN)C(O)c1ccc(Br)cc1F
InChIInChI=1S/C10H13BrFNO/c1-6(5-13)10(14)8-3-2-7(11)4-9(8)12/h2-4,6,10,14H,5,13H2,1H3
InChIKeyOCXJPTDLDXNBCE-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol?
The IUPAC name of 3-amino-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol (CID 60734382) is 3-amino-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-amino-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol is CC(CN)C(O)c1ccc(Br)cc1F.
What is the InChIKey of 3-amino-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol?
The InChIKey is OCXJPTDLDXNBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c1-6(5-13)10(14)8-3-2-7(11)4-9(8)12/h2-4,6,10,14H,5,13H2,1H3.
What are the key properties of 3-amino-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol?
3-amino-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol has a molecular weight of 262.12 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 60734382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).