2-[(2-amino-6-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol

C11H15BrF2N2O — CID 107478617

IUPAC2-[(2-amino-6-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol
SMILESNc1cccc(Br)c1CN(CCO)CC(F)F
InChIInChI=1S/C11H15BrF2N2O/c12-9-2-1-3-10(15)8(9)6-16(4-5-17)7-11(13)14/h1-3,11,17H,4-7,15H2
InChIKeyKWBIAWCAWZLHRH-UHFFFAOYSA-N
MW309.15 g/mol
LogP2.09
Rot. Bonds6

About 2-[(2-amino-6-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol

2-[(2-amino-6-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107478617) has the molecular formula C11H15BrF2N2O and a molecular weight of 309.15 g/mol. Its IUPAC name is 2-[(2-amino-6-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-amino-6-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol
PubChem CID107478617
Molecular FormulaC11H15BrF2N2O
Molecular Weight309.15 g/mol
Exact Mass308.03
IUPAC Name2-[(2-amino-6-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol
SMILESNc1cccc(Br)c1CN(CCO)CC(F)F
InChIInChI=1S/C11H15BrF2N2O/c12-9-2-1-3-10(15)8(9)6-16(4-5-17)7-11(13)14/h1-3,11,17H,4-7,15H2
InChIKeyKWBIAWCAWZLHRH-UHFFFAOYSA-N
XLogP2.09
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-amino-4-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107478656
2-[2,2-difluoroethyl-[(2,6-dimethylphenyl)methyl]amino]ethanol
CID 107485375
2-[(4-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107484838
2-[2-(aminomethyl)-3-bromo-N-(2,2-difluoroethyl)anilino]ethanol
CID 107478448
2-[[3-amino-3-(2-bromophenyl)propyl]-(2,2-difluoroethyl)amino]ethanol
CID 107486461
methyl 2-amino-6-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]benzoate
CID 107478541
2-[[bis(2-methoxyethyl)amino]methyl]-3-bromoaniline
CID 43587794
3-bromo-2-[[methyl(propan-2-yl)amino]methyl]aniline
CID 43349648
3-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]benzenecarbothioamide
CID 107479915
1-[(2-amino-6-bromophenyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 54994947
1-[(2-amino-6-bromophenyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 79384296
2-[[benzyl(propyl)amino]methyl]-3-bromoaniline
CID 43587163

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(2-amino-6-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol (CID 107478617) is 2-[(2-amino-6-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(2-amino-6-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(2-amino-6-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol is Nc1cccc(Br)c1CN(CCO)CC(F)F.
What is the InChIKey of 2-[(2-amino-6-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is KWBIAWCAWZLHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrF2N2O/c12-9-2-1-3-10(15)8(9)6-16(4-5-17)7-11(13)14/h1-3,11,17H,4-7,15H2.
What are the key properties of 2-[(2-amino-6-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol?
2-[(2-amino-6-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 309.15 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107478617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).