2-[(3-bromo-2,6-difluorophenyl)methylamino]-2-phenylpropan-1-ol

C16H16BrF2NO — CID 106263794

IUPAC2-[(3-bromo-2,6-difluorophenyl)methylamino]-2-phenylpropan-1-ol
SMILESCC(CO)(NCc1c(F)ccc(Br)c1F)c1ccccc1
InChIInChI=1S/C16H16BrF2NO/c1-16(10-21,11-5-3-2-4-6-11)20-9-12-14(18)8-7-13(17)15(12)19/h2-8,20-21H,9-10H2,1H3
InChIKeyBLUNWAZFQVYANL-UHFFFAOYSA-N
MW356.21 g/mol
LogP3.72
Rot. Bonds5

About 2-[(3-bromo-2,6-difluorophenyl)methylamino]-2-phenylpropan-1-ol

2-[(3-bromo-2,6-difluorophenyl)methylamino]-2-phenylpropan-1-ol (PubChem CID 106263794) has the molecular formula C16H16BrF2NO and a molecular weight of 356.21 g/mol. Its IUPAC name is 2-[(3-bromo-2,6-difluorophenyl)methylamino]-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(3-bromo-2,6-difluorophenyl)methylamino]-2-phenylpropan-1-ol
PubChem CID106263794
Molecular FormulaC16H16BrF2NO
Molecular Weight356.21 g/mol
Exact Mass355.04
IUPAC Name2-[(3-bromo-2,6-difluorophenyl)methylamino]-2-phenylpropan-1-ol
SMILESCC(CO)(NCc1c(F)ccc(Br)c1F)c1ccccc1
InChIInChI=1S/C16H16BrF2NO/c1-16(10-21,11-5-3-2-4-6-11)20-9-12-14(18)8-7-13(17)15(12)19/h2-8,20-21H,9-10H2,1H3
InChIKeyBLUNWAZFQVYANL-UHFFFAOYSA-N
XLogP3.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropane-1,3-diol
CID 106273888
2-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]propan-1-ol
CID 103793108
2-bromo-4-[[(1-hydroxy-2-phenylpropan-2-yl)amino]methyl]phenol
CID 105057826
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-chloro-2-methylbutan-2-amine
CID 106272320
2-[(6-bromo-2-pyridinyl)methylamino]-2-phenylpropan-1-ol
CID 105057817
2-[(2-ethylphenyl)methylamino]-2-phenylpropan-1-ol
CID 105057863
2-(2-hydroxyethylamino)-2-phenylpropan-1-ol
CID 115674879
(1R)-N-[(3-bromo-2,6-difluorophenyl)methyl]-1-phenylethanamine
CID 106263465
3-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105057894
3-fluoro-4-[[(1-hydroxy-2-phenylpropan-2-yl)amino]methyl]benzonitrile
CID 115619640
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline
CID 106263151
N-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylbut-2-en-1-amine
CID 106263936

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2,6-difluorophenyl)methylamino]-2-phenylpropan-1-ol?
The IUPAC name of 2-[(3-bromo-2,6-difluorophenyl)methylamino]-2-phenylpropan-1-ol (CID 106263794) is 2-[(3-bromo-2,6-difluorophenyl)methylamino]-2-phenylpropan-1-ol.
What is the SMILES notation for 2-[(3-bromo-2,6-difluorophenyl)methylamino]-2-phenylpropan-1-ol?
The canonical SMILES for 2-[(3-bromo-2,6-difluorophenyl)methylamino]-2-phenylpropan-1-ol is CC(CO)(NCc1c(F)ccc(Br)c1F)c1ccccc1.
What is the InChIKey of 2-[(3-bromo-2,6-difluorophenyl)methylamino]-2-phenylpropan-1-ol?
The InChIKey is BLUNWAZFQVYANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2NO/c1-16(10-21,11-5-3-2-4-6-11)20-9-12-14(18)8-7-13(17)15(12)19/h2-8,20-21H,9-10H2,1H3.
What are the key properties of 2-[(3-bromo-2,6-difluorophenyl)methylamino]-2-phenylpropan-1-ol?
2-[(3-bromo-2,6-difluorophenyl)methylamino]-2-phenylpropan-1-ol has a molecular weight of 356.21 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2,6-difluorophenyl)methylamino]-2-phenylpropan-1-ol is sourced from PubChem (CID 106263794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).