4-[1-(2,3-dimethylanilino)ethyl]-3-fluorophenol

C16H18FNO — CID 107714598

IUPAC4-[1-(2,3-dimethylanilino)ethyl]-3-fluorophenol
SMILESCc1cccc(NC(C)c2ccc(O)cc2F)c1C
InChIInChI=1S/C16H18FNO/c1-10-5-4-6-16(11(10)2)18-12(3)14-8-7-13(19)9-15(14)17/h4-9,12,18-19H,1-3H3
InChIKeyCCHVMSDROAYNNX-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.32
Rot. Bonds3

About 4-[1-(2,3-dimethylanilino)ethyl]-3-fluorophenol

4-[1-(2,3-dimethylanilino)ethyl]-3-fluorophenol (PubChem CID 107714598) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 4-[1-(2,3-dimethylanilino)ethyl]-3-fluorophenol.

Molecular Properties

Compound Name4-[1-(2,3-dimethylanilino)ethyl]-3-fluorophenol
PubChem CID107714598
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name4-[1-(2,3-dimethylanilino)ethyl]-3-fluorophenol
SMILESCc1cccc(NC(C)c2ccc(O)cc2F)c1C
InChIInChI=1S/C16H18FNO/c1-10-5-4-6-16(11(10)2)18-12(3)14-8-7-13(19)9-15(14)17/h4-9,12,18-19H,1-3H3
InChIKeyCCHVMSDROAYNNX-UHFFFAOYSA-N
XLogP4.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-2-methylbenzamide
CID 107714808
3-fluoro-4-[1-(2,4,5-trifluoroanilino)ethyl]phenol
CID 107715105
3-fluoro-4-[1-(3-methoxy-2,4-dimethylanilino)ethyl]phenol
CID 107714882
4-[1-(5-chloro-2-methylanilino)ethyl]-3-fluorophenol
CID 107714478
4-chloro-2-[1-(2,3-dimethylanilino)ethyl]phenol
CID 2947511
4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-3-fluorophenol
CID 107715487
3-fluoro-4-[1-[3-(hydroxymethyl)anilino]ethyl]phenol
CID 107714824
3-fluoro-4-[1-(2,4,6-trichloroanilino)ethyl]phenol
CID 107714699
4-[1-(3,5-dichloroanilino)ethyl]-3-fluorophenol
CID 107714542
2,3-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43105751
4-[1-(2-methyl-3-nitroanilino)ethyl]benzene-1,3-diol
CID 43719688
4-[1-(3,4-dichloroanilino)ethyl]-3-fluorophenol
CID 107714548

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,3-dimethylanilino)ethyl]-3-fluorophenol?
The IUPAC name of 4-[1-(2,3-dimethylanilino)ethyl]-3-fluorophenol (CID 107714598) is 4-[1-(2,3-dimethylanilino)ethyl]-3-fluorophenol.
What is the SMILES notation for 4-[1-(2,3-dimethylanilino)ethyl]-3-fluorophenol?
The canonical SMILES for 4-[1-(2,3-dimethylanilino)ethyl]-3-fluorophenol is Cc1cccc(NC(C)c2ccc(O)cc2F)c1C.
What is the InChIKey of 4-[1-(2,3-dimethylanilino)ethyl]-3-fluorophenol?
The InChIKey is CCHVMSDROAYNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-10-5-4-6-16(11(10)2)18-12(3)14-8-7-13(19)9-15(14)17/h4-9,12,18-19H,1-3H3.
What are the key properties of 4-[1-(2,3-dimethylanilino)ethyl]-3-fluorophenol?
4-[1-(2,3-dimethylanilino)ethyl]-3-fluorophenol has a molecular weight of 259.32 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,3-dimethylanilino)ethyl]-3-fluorophenol is sourced from PubChem (CID 107714598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).