3-amino-2-(2-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)propan-1-ol

C16H16BrF2NO — CID 82801260

IUPAC3-amino-2-(2-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)propan-1-ol
SMILESCc1ccc(F)c(C(O)C(CN)c2ccccc2Br)c1F
InChIInChI=1S/C16H16BrF2NO/c1-9-6-7-13(18)14(15(9)19)16(21)11(8-20)10-4-2-3-5-12(10)17/h2-7,11,16,21H,8,20H2,1H3
InChIKeyQETNDICCNADBRD-UHFFFAOYSA-N
MW356.21 g/mol
LogP3.81
Rot. Bonds4

About 3-amino-2-(2-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)propan-1-ol

3-amino-2-(2-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)propan-1-ol (PubChem CID 82801260) has the molecular formula C16H16BrF2NO and a molecular weight of 356.21 g/mol. Its IUPAC name is 3-amino-2-(2-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)propan-1-ol
PubChem CID82801260
Molecular FormulaC16H16BrF2NO
Molecular Weight356.21 g/mol
Exact Mass355.04
IUPAC Name3-amino-2-(2-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)propan-1-ol
SMILESCc1ccc(F)c(C(O)C(CN)c2ccccc2Br)c1F
InChIInChI=1S/C16H16BrF2NO/c1-9-6-7-13(18)14(15(9)19)16(21)11(8-20)10-4-2-3-5-12(10)17/h2-7,11,16,21H,8,20H2,1H3
InChIKeyQETNDICCNADBRD-UHFFFAOYSA-N
XLogP3.81
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2,6-difluoro-3-methylphenyl)-2-thiophen-2-ylpropan-1-ol
CID 82819024
3-amino-1-(5-bromo-2-methylphenyl)-2-(2-bromophenyl)propan-1-ol
CID 65309758
3-amino-1-(2-fluoro-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol
CID 81478773
[(3-bromo-2-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methyl]hydrazine
CID 106649829
3-amino-1-(2,5-dibromophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 114376051
3-amino-1-(2-bromophenyl)-2-(2-chlorophenyl)propan-1-ol
CID 65184614
3-amino-1-(3-bromo-5-chlorophenyl)-2-(2-bromophenyl)propan-1-ol
CID 107955038
3-amino-1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 107955043
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65186435
1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanol
CID 112575615
3-amino-1-(2-bromo-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol
CID 107984152
(2-bromo-3-methylphenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 107985811

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(2-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)propan-1-ol (CID 82801260) is 3-amino-2-(2-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)propan-1-ol is Cc1ccc(F)c(C(O)C(CN)c2ccccc2Br)c1F.
What is the InChIKey of 3-amino-2-(2-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)propan-1-ol?
The InChIKey is QETNDICCNADBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2NO/c1-9-6-7-13(18)14(15(9)19)16(21)11(8-20)10-4-2-3-5-12(10)17/h2-7,11,16,21H,8,20H2,1H3.
What are the key properties of 3-amino-2-(2-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)propan-1-ol?
3-amino-2-(2-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)propan-1-ol has a molecular weight of 356.21 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)propan-1-ol is sourced from PubChem (CID 82801260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).