5-[1-(2,4-difluorophenyl)ethylamino]-2-methylphenol

C15H15F2NO — CID 107700745

IUPAC5-[1-(2,4-difluorophenyl)ethylamino]-2-methylphenol
SMILESCc1ccc(NC(C)c2ccc(F)cc2F)cc1O
InChIInChI=1S/C15H15F2NO/c1-9-3-5-12(8-15(9)19)18-10(2)13-6-4-11(16)7-14(13)17/h3-8,10,18-19H,1-2H3
InChIKeySNOIVCVMZKVNMD-UHFFFAOYSA-N
MW263.29 g/mol
LogP4.15
Rot. Bonds3

About 5-[1-(2,4-difluorophenyl)ethylamino]-2-methylphenol

5-[1-(2,4-difluorophenyl)ethylamino]-2-methylphenol (PubChem CID 107700745) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 5-[1-(2,4-difluorophenyl)ethylamino]-2-methylphenol.

Molecular Properties

Compound Name5-[1-(2,4-difluorophenyl)ethylamino]-2-methylphenol
PubChem CID107700745
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name5-[1-(2,4-difluorophenyl)ethylamino]-2-methylphenol
SMILESCc1ccc(NC(C)c2ccc(F)cc2F)cc1O
InChIInChI=1S/C15H15F2NO/c1-9-3-5-12(8-15(9)19)18-10(2)13-6-4-11(16)7-14(13)17/h3-8,10,18-19H,1-2H3
InChIKeySNOIVCVMZKVNMD-UHFFFAOYSA-N
XLogP4.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-methylphenol
CID 107701003
N-[1-(2,4-difluorophenyl)ethyl]-4-fluoroaniline
CID 43194675
4-[1-(2,5-difluorophenyl)ethylamino]phenol
CID 43742782
5-[1-(3-chloro-4-fluorophenyl)ethylamino]-2-methylphenol
CID 107700001
2-[1-(4-bromo-3,5-dimethylanilino)ethyl]-5-fluorophenol
CID 107572030
4-butan-2-yl-N-[1-(2,4-difluorophenyl)ethyl]aniline
CID 43681088
2-chloro-5-[1-(2,4-difluorophenyl)ethylamino]benzonitrile
CID 43686866
3-fluoro-N-[1-(2-fluorophenyl)ethyl]-4-methylaniline
CID 43195584
2-methyl-5-[1-(4-propan-2-ylphenyl)ethylamino]phenol
CID 107699855
5-fluoro-2-[1-(4-iodoanilino)ethyl]phenol
CID 63065839
4-[1-(2-chloro-4-fluorophenyl)ethylamino]phenol
CID 43790400
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,4-difluorophenyl)ethylamino]-2-methylphenol?
The IUPAC name of 5-[1-(2,4-difluorophenyl)ethylamino]-2-methylphenol (CID 107700745) is 5-[1-(2,4-difluorophenyl)ethylamino]-2-methylphenol.
What is the SMILES notation for 5-[1-(2,4-difluorophenyl)ethylamino]-2-methylphenol?
The canonical SMILES for 5-[1-(2,4-difluorophenyl)ethylamino]-2-methylphenol is Cc1ccc(NC(C)c2ccc(F)cc2F)cc1O.
What is the InChIKey of 5-[1-(2,4-difluorophenyl)ethylamino]-2-methylphenol?
The InChIKey is SNOIVCVMZKVNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-9-3-5-12(8-15(9)19)18-10(2)13-6-4-11(16)7-14(13)17/h3-8,10,18-19H,1-2H3.
What are the key properties of 5-[1-(2,4-difluorophenyl)ethylamino]-2-methylphenol?
5-[1-(2,4-difluorophenyl)ethylamino]-2-methylphenol has a molecular weight of 263.29 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,4-difluorophenyl)ethylamino]-2-methylphenol is sourced from PubChem (CID 107700745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).