4-(ethylaminomethyl)-2,6-difluorophenol

C9H11F2NO — CID 79832688

IUPAC4-(ethylaminomethyl)-2,6-difluorophenol
SMILESCCNCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C9H11F2NO/c1-2-12-5-6-3-7(10)9(13)8(11)4-6/h3-4,12-13H,2,5H2,1H3
InChIKeyXXMGMYHCRSQTRC-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.78
Rot. Bonds3

About 4-(ethylaminomethyl)-2,6-difluorophenol

4-(ethylaminomethyl)-2,6-difluorophenol (PubChem CID 79832688) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-2,6-difluorophenol.

Molecular Properties

Compound Name4-(ethylaminomethyl)-2,6-difluorophenol
PubChem CID79832688
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name4-(ethylaminomethyl)-2,6-difluorophenol
SMILESCCNCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C9H11F2NO/c1-2-12-5-6-3-7(10)9(13)8(11)4-6/h3-4,12-13H,2,5H2,1H3
InChIKeyXXMGMYHCRSQTRC-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-4-[(octylamino)methyl]phenol
CID 115566997
N-[(3,5-difluoro-4-methylsulfanylphenyl)methyl]ethanamine
CID 63812832
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
4-[(ethoxyamino)methyl]-2,6-difluorophenol
CID 82709745
2,6-difluoro-4-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol
CID 113251429
4-[(3-butoxypropylamino)methyl]-2,6-difluorophenol
CID 115680041
2,6-difluoro-4-[(methoxyamino)methyl]phenol
CID 82707251
4-[(2-bromoprop-2-enylamino)methyl]-2,6-difluorophenol
CID 115680068
N-[2-[(3,5-difluoro-4-hydroxyphenyl)methylamino]ethyl]methanesulfonamide
CID 79831323
2,6-difluoro-4-[[(4-methylcyclohexyl)methylamino]methyl]phenol
CID 79831125
2,6-difluoro-4-[(3-methylsulfonylpropylamino)methyl]phenol
CID 79831222
N-[(3,5-difluoro-4-propan-2-yloxyphenyl)methyl]ethanamine
CID 79892242

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-2,6-difluorophenol?
The IUPAC name of 4-(ethylaminomethyl)-2,6-difluorophenol (CID 79832688) is 4-(ethylaminomethyl)-2,6-difluorophenol.
What is the SMILES notation for 4-(ethylaminomethyl)-2,6-difluorophenol?
The canonical SMILES for 4-(ethylaminomethyl)-2,6-difluorophenol is CCNCc1cc(F)c(O)c(F)c1.
What is the InChIKey of 4-(ethylaminomethyl)-2,6-difluorophenol?
The InChIKey is XXMGMYHCRSQTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-2-12-5-6-3-7(10)9(13)8(11)4-6/h3-4,12-13H,2,5H2,1H3.
What are the key properties of 4-(ethylaminomethyl)-2,6-difluorophenol?
4-(ethylaminomethyl)-2,6-difluorophenol has a molecular weight of 187.19 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-2,6-difluorophenol is sourced from PubChem (CID 79832688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).