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

C15H16FNO — CID 82981692

IUPAC3-[(N-ethyl-2-fluoroanilino)methyl]phenol
SMILESCCN(Cc1cccc(O)c1)c1ccccc1F
InChIInChI=1S/C15H16FNO/c1-2-17(15-9-4-3-8-14(15)16)11-12-6-5-7-13(18)10-12/h3-10,18H,2,11H2,1H3
InChIKeySUABHXXQNGIBFS-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.56
Rot. Bonds4

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

3-[(N-ethyl-2-fluoroanilino)methyl]phenol (PubChem CID 82981692) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 3-[(N-ethyl-2-fluoroanilino)methyl]phenol.

Molecular Properties

Compound Name3-[(N-ethyl-2-fluoroanilino)methyl]phenol
PubChem CID82981692
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name3-[(N-ethyl-2-fluoroanilino)methyl]phenol
SMILESCCN(Cc1cccc(O)c1)c1ccccc1F
InChIInChI=1S/C15H16FNO/c1-2-17(15-9-4-3-8-14(15)16)11-12-6-5-7-13(18)10-12/h3-10,18H,2,11H2,1H3
InChIKeySUABHXXQNGIBFS-UHFFFAOYSA-N
XLogP3.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(N-ethyl-2-fluoroanilino)methyl]-2,6-difluorophenol
CID 82981844
3-[(2-fluoro-N-methylanilino)methyl]phenol
CID 82978376
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-fluoroaniline
CID 63887475
N-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-2-fluoroaniline
CID 79706205
3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol
CID 22070428
N-[(5-bromo-3-pyridinyl)methyl]-N-ethyl-2-fluoroaniline
CID 113228063
4-[(N-ethyl-2-fluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 76931366
2-[2-fluoro-N-[(3-methylphenyl)methyl]anilino]acetic acid
CID 39372088
3-[(2-amino-6-fluorophenyl)methyl-ethylamino]phenol
CID 107733913
3-[1-(N-ethyl-2-fluoroanilino)ethyl]phenol
CID 82982466
N-benzyl-N-ethyl-4-(ethylaminomethyl)-2-fluoroaniline
CID 43281516
N-ethyl-N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-2-fluoroaniline
CID 106906142

Frequently Asked Questions

What is the IUPAC name of 3-[(N-ethyl-2-fluoroanilino)methyl]phenol?
The IUPAC name of 3-[(N-ethyl-2-fluoroanilino)methyl]phenol (CID 82981692) is 3-[(N-ethyl-2-fluoroanilino)methyl]phenol.
What is the SMILES notation for 3-[(N-ethyl-2-fluoroanilino)methyl]phenol?
The canonical SMILES for 3-[(N-ethyl-2-fluoroanilino)methyl]phenol is CCN(Cc1cccc(O)c1)c1ccccc1F.
What is the InChIKey of 3-[(N-ethyl-2-fluoroanilino)methyl]phenol?
The InChIKey is SUABHXXQNGIBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-2-17(15-9-4-3-8-14(15)16)11-12-6-5-7-13(18)10-12/h3-10,18H,2,11H2,1H3.
What are the key properties of 3-[(N-ethyl-2-fluoroanilino)methyl]phenol?
3-[(N-ethyl-2-fluoroanilino)methyl]phenol has a molecular weight of 245.30 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(N-ethyl-2-fluoroanilino)methyl]phenol is sourced from PubChem (CID 82981692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).