3-[1-(N-ethyl-2-fluoroanilino)ethyl]phenol

C16H18FNO — CID 82982466

IUPAC3-[1-(N-ethyl-2-fluoroanilino)ethyl]phenol
SMILESCCN(c1ccccc1F)C(C)c1cccc(O)c1
InChIInChI=1S/C16H18FNO/c1-3-18(16-10-5-4-9-15(16)17)12(2)13-7-6-8-14(19)11-13/h4-12,19H,3H2,1-2H3
InChIKeyHCIAXTSKRHAQHP-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.12
Rot. Bonds4

About 3-[1-(N-ethyl-2-fluoroanilino)ethyl]phenol

3-[1-(N-ethyl-2-fluoroanilino)ethyl]phenol (PubChem CID 82982466) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 3-[1-(N-ethyl-2-fluoroanilino)ethyl]phenol.

Molecular Properties

Compound Name3-[1-(N-ethyl-2-fluoroanilino)ethyl]phenol
PubChem CID82982466
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name3-[1-(N-ethyl-2-fluoroanilino)ethyl]phenol
SMILESCCN(c1ccccc1F)C(C)c1cccc(O)c1
InChIInChI=1S/C16H18FNO/c1-3-18(16-10-5-4-9-15(16)17)12(2)13-7-6-8-14(19)11-13/h4-12,19H,3H2,1-2H3
InChIKeyHCIAXTSKRHAQHP-UHFFFAOYSA-N
XLogP4.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(N-ethyl-3-fluoroanilino)ethyl]phenol
CID 82982597
3-[1-(N-butylanilino)ethyl]phenol
CID 82980304
3-[(N-ethyl-2-fluoroanilino)methyl]phenol
CID 82981692
3-[(1R)-1-(dimethylamino)ethyl]phenol
CID 10313270
3-[(2S)-butan-2-yl]-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 94797724
3-[(2-fluoro-N-methylanilino)methyl]phenol
CID 82978376
3-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]phenol
CID 103734415
4-[1-(2-fluoro-N-methylanilino)ethyl]phenol
CID 82978305
(2S)-2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-3-methylbutanamide
CID 61164790
3-[1-[2-aminoethyl(benzyl)amino]ethyl]phenol
CID 106511324
N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxypropanamide
CID 112696419
(1S)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol
CID 78939528

Frequently Asked Questions

What is the IUPAC name of 3-[1-(N-ethyl-2-fluoroanilino)ethyl]phenol?
The IUPAC name of 3-[1-(N-ethyl-2-fluoroanilino)ethyl]phenol (CID 82982466) is 3-[1-(N-ethyl-2-fluoroanilino)ethyl]phenol.
What is the SMILES notation for 3-[1-(N-ethyl-2-fluoroanilino)ethyl]phenol?
The canonical SMILES for 3-[1-(N-ethyl-2-fluoroanilino)ethyl]phenol is CCN(c1ccccc1F)C(C)c1cccc(O)c1.
What is the InChIKey of 3-[1-(N-ethyl-2-fluoroanilino)ethyl]phenol?
The InChIKey is HCIAXTSKRHAQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-3-18(16-10-5-4-9-15(16)17)12(2)13-7-6-8-14(19)11-13/h4-12,19H,3H2,1-2H3.
What are the key properties of 3-[1-(N-ethyl-2-fluoroanilino)ethyl]phenol?
3-[1-(N-ethyl-2-fluoroanilino)ethyl]phenol has a molecular weight of 259.32 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(N-ethyl-2-fluoroanilino)ethyl]phenol is sourced from PubChem (CID 82982466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).