[3-[(N-ethyl-3-fluoroanilino)methyl]oxan-3-yl]methanol

C15H22FNO2 — CID 63745907

IUPAC[3-[(N-ethyl-3-fluoroanilino)methyl]oxan-3-yl]methanol
SMILESCCN(CC1(CO)CCCOC1)c1cccc(F)c1
InChIInChI=1S/C15H22FNO2/c1-2-17(14-6-3-5-13(16)9-14)10-15(11-18)7-4-8-19-12-15/h3,5-6,9,18H,2,4,7-8,10-12H2,1H3
InChIKeyQOFWIJACXCNWAI-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.44
Rot. Bonds5

About [3-[(N-ethyl-3-fluoroanilino)methyl]oxan-3-yl]methanol

[3-[(N-ethyl-3-fluoroanilino)methyl]oxan-3-yl]methanol (PubChem CID 63745907) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is [3-[(N-ethyl-3-fluoroanilino)methyl]oxan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(N-ethyl-3-fluoroanilino)methyl]oxan-3-yl]methanol
PubChem CID63745907
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name[3-[(N-ethyl-3-fluoroanilino)methyl]oxan-3-yl]methanol
SMILESCCN(CC1(CO)CCCOC1)c1cccc(F)c1
InChIInChI=1S/C15H22FNO2/c1-2-17(14-6-3-5-13(16)9-14)10-15(11-18)7-4-8-19-12-15/h3,5-6,9,18H,2,4,7-8,10-12H2,1H3
InChIKeyQOFWIJACXCNWAI-UHFFFAOYSA-N
XLogP2.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(N-ethyl-2-fluoroanilino)methyl]oxan-3-yl]methanol
CID 63747442
N-[[1-(bromomethyl)cyclopentyl]methyl]-N-ethyl-3-fluoroaniline
CID 65003098
N-[[3-(aminomethyl)oxan-3-yl]methyl]-3-fluoro-N-methylaniline
CID 63739983
N-ethyl-3-fluoro-N-[[1-(methylaminomethyl)cyclohexyl]methyl]aniline
CID 63494586
N-ethyl-3-fluoro-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline
CID 63495148
[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methanol
CID 62271267
[1-[(N-ethyl-4-fluoroanilino)methyl]cyclopentyl]methanol
CID 62272788
N-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-3-fluoroaniline
CID 63129780
N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methylaniline
CID 62257422
[3-[[ethyl(furan-2-ylmethyl)amino]methyl]oxan-3-yl]methanol
CID 55242635
[3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]oxan-3-yl]methanol
CID 63747607
N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]aniline
CID 62263802

Frequently Asked Questions

What is the IUPAC name of [3-[(N-ethyl-3-fluoroanilino)methyl]oxan-3-yl]methanol?
The IUPAC name of [3-[(N-ethyl-3-fluoroanilino)methyl]oxan-3-yl]methanol (CID 63745907) is [3-[(N-ethyl-3-fluoroanilino)methyl]oxan-3-yl]methanol.
What is the SMILES notation for [3-[(N-ethyl-3-fluoroanilino)methyl]oxan-3-yl]methanol?
The canonical SMILES for [3-[(N-ethyl-3-fluoroanilino)methyl]oxan-3-yl]methanol is CCN(CC1(CO)CCCOC1)c1cccc(F)c1.
What is the InChIKey of [3-[(N-ethyl-3-fluoroanilino)methyl]oxan-3-yl]methanol?
The InChIKey is QOFWIJACXCNWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-2-17(14-6-3-5-13(16)9-14)10-15(11-18)7-4-8-19-12-15/h3,5-6,9,18H,2,4,7-8,10-12H2,1H3.
What are the key properties of [3-[(N-ethyl-3-fluoroanilino)methyl]oxan-3-yl]methanol?
[3-[(N-ethyl-3-fluoroanilino)methyl]oxan-3-yl]methanol has a molecular weight of 267.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(N-ethyl-3-fluoroanilino)methyl]oxan-3-yl]methanol is sourced from PubChem (CID 63745907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).