3-fluoro-4-[1-[3-(hydroxymethyl)anilino]ethyl]phenol

C15H16FNO2 — CID 107714824

IUPAC3-fluoro-4-[1-[3-(hydroxymethyl)anilino]ethyl]phenol
SMILESCC(Nc1cccc(CO)c1)c1ccc(O)cc1F
InChIInChI=1S/C15H16FNO2/c1-10(14-6-5-13(19)8-15(14)16)17-12-4-2-3-11(7-12)9-18/h2-8,10,17-19H,9H2,1H3
InChIKeyPXUMZZQUBXENPO-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.20
Rot. Bonds4

About 3-fluoro-4-[1-[3-(hydroxymethyl)anilino]ethyl]phenol

3-fluoro-4-[1-[3-(hydroxymethyl)anilino]ethyl]phenol (PubChem CID 107714824) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-fluoro-4-[1-[3-(hydroxymethyl)anilino]ethyl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[1-[3-(hydroxymethyl)anilino]ethyl]phenol
PubChem CID107714824
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name3-fluoro-4-[1-[3-(hydroxymethyl)anilino]ethyl]phenol
SMILESCC(Nc1cccc(CO)c1)c1ccc(O)cc1F
InChIInChI=1S/C15H16FNO2/c1-10(14-6-5-13(19)8-15(14)16)17-12-4-2-3-11(7-12)9-18/h2-8,10,17-19H,9H2,1H3
InChIKeyPXUMZZQUBXENPO-UHFFFAOYSA-N
XLogP3.20
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[1-(2-fluorophenyl)ethylamino]phenyl]methanol
CID 43715146
4-[1-(3,4-dichloroanilino)ethyl]-3-fluorophenol
CID 107714548
[3-[1-(2-bromophenyl)ethylamino]phenyl]methanol
CID 43715152
4-[1-(3,5-dichloroanilino)ethyl]-3-fluorophenol
CID 107714542
[3-[[(1S)-1-(2,6-difluoro-4-methoxyphenyl)ethyl]amino]phenyl]methanol
CID 97088118
4-[1-(4-ethoxy-3-fluoroanilino)ethyl]-3-fluorophenol
CID 107715391
[3-[1-(2,4-dimethoxyphenyl)ethylamino]phenyl]methanol
CID 43715117
4-[1-(3-bromo-4-methoxyanilino)ethyl]-3-fluorophenol
CID 107715209
3-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43765130
3-fluoro-4-[1-(2,4,5-trifluoroanilino)ethyl]phenol
CID 107715105
4-[1-(2,3-dimethylanilino)ethyl]-3-fluorophenol
CID 107714598
[3-[1-(3-chlorophenyl)ethylamino]phenyl]methanol
CID 43715072

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[1-[3-(hydroxymethyl)anilino]ethyl]phenol?
The IUPAC name of 3-fluoro-4-[1-[3-(hydroxymethyl)anilino]ethyl]phenol (CID 107714824) is 3-fluoro-4-[1-[3-(hydroxymethyl)anilino]ethyl]phenol.
What is the SMILES notation for 3-fluoro-4-[1-[3-(hydroxymethyl)anilino]ethyl]phenol?
The canonical SMILES for 3-fluoro-4-[1-[3-(hydroxymethyl)anilino]ethyl]phenol is CC(Nc1cccc(CO)c1)c1ccc(O)cc1F.
What is the InChIKey of 3-fluoro-4-[1-[3-(hydroxymethyl)anilino]ethyl]phenol?
The InChIKey is PXUMZZQUBXENPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-10(14-6-5-13(19)8-15(14)16)17-12-4-2-3-11(7-12)9-18/h2-8,10,17-19H,9H2,1H3.
What are the key properties of 3-fluoro-4-[1-[3-(hydroxymethyl)anilino]ethyl]phenol?
3-fluoro-4-[1-[3-(hydroxymethyl)anilino]ethyl]phenol has a molecular weight of 261.30 g/mol, XLogP of 3.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[1-[3-(hydroxymethyl)anilino]ethyl]phenol is sourced from PubChem (CID 107714824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).