2-[2-(aminomethyl)-3-bromo-N-(2,2-difluoroethyl)anilino]ethanol

C11H15BrF2N2O — CID 107478448

IUPAC2-[2-(aminomethyl)-3-bromo-N-(2,2-difluoroethyl)anilino]ethanol
SMILESNCc1c(Br)cccc1N(CCO)CC(F)F
InChIInChI=1S/C11H15BrF2N2O/c12-9-2-1-3-10(8(9)6-15)16(4-5-17)7-11(13)14/h1-3,11,17H,4-7,15H2
InChIKeyFKUXSVDBCYLUHU-UHFFFAOYSA-N
MW309.15 g/mol
LogP1.97
Rot. Bonds6

About 2-[2-(aminomethyl)-3-bromo-N-(2,2-difluoroethyl)anilino]ethanol

2-[2-(aminomethyl)-3-bromo-N-(2,2-difluoroethyl)anilino]ethanol (PubChem CID 107478448) has the molecular formula C11H15BrF2N2O and a molecular weight of 309.15 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3-bromo-N-(2,2-difluoroethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3-bromo-N-(2,2-difluoroethyl)anilino]ethanol
PubChem CID107478448
Molecular FormulaC11H15BrF2N2O
Molecular Weight309.15 g/mol
Exact Mass308.03
IUPAC Name2-[2-(aminomethyl)-3-bromo-N-(2,2-difluoroethyl)anilino]ethanol
SMILESNCc1c(Br)cccc1N(CCO)CC(F)F
InChIInChI=1S/C11H15BrF2N2O/c12-9-2-1-3-10(8(9)6-15)16(4-5-17)7-11(13)14/h1-3,11,17H,4-7,15H2
InChIKeyFKUXSVDBCYLUHU-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(1R)-1-aminoethyl]-N-(2,2-difluoroethyl)anilino]ethanol
CID 107480549
2-[(2-amino-6-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107478617
2-[(3-bromo-4-pyridinyl)-(2,2-difluoroethyl)amino]ethanol
CID 107484125
2-(aminomethyl)-3-bromo-N-butyl-N-ethylaniline
CID 114879435
2-[2-(aminomethyl)-N-(2,2-difluoroethyl)-6-methylanilino]ethanol
CID 107478449
(1R)-1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]phenyl]propan-1-ol
CID 107480997
2-[2-(aminomethyl)-3-bromo-N-butylanilino]acetamide
CID 114879596
2-[[3-(aminomethyl)-2-pyridinyl]-(2,2-difluoroethyl)amino]ethanol
CID 107478427
2-[2-(aminomethyl)-3-bromo-N-ethylanilino]-N-propan-2-ylacetamide
CID 114879565
2-[[4-(aminomethyl)pyrimidin-2-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107542342
2-[4-amino-N-(2,2-difluoroethyl)-2-iodoanilino]ethanol
CID 107478099
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-6-ethylsulfanyl-N'-hydroxybenzenecarboximidamide
CID 107480056

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3-bromo-N-(2,2-difluoroethyl)anilino]ethanol?
The IUPAC name of 2-[2-(aminomethyl)-3-bromo-N-(2,2-difluoroethyl)anilino]ethanol (CID 107478448) is 2-[2-(aminomethyl)-3-bromo-N-(2,2-difluoroethyl)anilino]ethanol.
What is the SMILES notation for 2-[2-(aminomethyl)-3-bromo-N-(2,2-difluoroethyl)anilino]ethanol?
The canonical SMILES for 2-[2-(aminomethyl)-3-bromo-N-(2,2-difluoroethyl)anilino]ethanol is NCc1c(Br)cccc1N(CCO)CC(F)F.
What is the InChIKey of 2-[2-(aminomethyl)-3-bromo-N-(2,2-difluoroethyl)anilino]ethanol?
The InChIKey is FKUXSVDBCYLUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrF2N2O/c12-9-2-1-3-10(8(9)6-15)16(4-5-17)7-11(13)14/h1-3,11,17H,4-7,15H2.
What are the key properties of 2-[2-(aminomethyl)-3-bromo-N-(2,2-difluoroethyl)anilino]ethanol?
2-[2-(aminomethyl)-3-bromo-N-(2,2-difluoroethyl)anilino]ethanol has a molecular weight of 309.15 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3-bromo-N-(2,2-difluoroethyl)anilino]ethanol is sourced from PubChem (CID 107478448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).